 Entering Gaussian System, Link 0=g16
 Input=27_methylindane_Chair_STD_B3LYPDBJ-augccpVDZr.in
 Output=27_methylindane_Chair_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/27_methylindane_Chair_STD/Gau-42094.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/27_methylindane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     42099.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=27_methylindane_Chair_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:28:07 2021, MaxMem= 10737418240 cpu:               3.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "27_methylindane_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.295974000000     -1.028853000000     -0.128687000000
  C                                                -2.606029000000      0.291875000000      0.183416000000
  C                                                -0.973478000000     -1.409110000000     -0.342457000000
  C                                                 0.029531000000     -0.455263000000     -0.247794000000
  C                                                -0.281499000000      0.868664000000      0.064239000000
  C                                                -1.598106000000      1.247679000000      0.283733000000
  C                                                 1.523670000000     -0.639314000000     -0.396640000000
  C                                                 2.019669000000      0.816964000000     -0.580832000000
  C                                                 0.972315000000      1.705463000000      0.125740000000
  H                                                -3.088043000000     -1.762337000000     -0.209833000000
  H                                                -3.637708000000      0.578196000000      0.343549000000
  H                                                -0.735344000000     -2.437795000000     -0.586593000000
  H                                                -1.844116000000      2.275439000000      0.523140000000
  H                                                 1.760590000000     -1.243210000000     -1.276257000000
  C                                                 2.130571000000     -1.320158000000      0.835970000000
  H                                                 2.034988000000      1.060247000000     -1.645001000000
  H                                                 3.029412000000      0.962676000000     -0.195614000000
  H                                                 0.857874000000      2.679448000000     -0.352616000000
  H                                                 1.250132000000      1.896413000000      1.167459000000
  H                                                 1.938821000000     -0.733184000000      1.737056000000
  H                                                 3.211182000000     -1.433117000000      0.725825000000
  H                                                 1.698191000000     -2.310454000000      0.988755000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1
 NAtoms=     22 NQM=       22 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22
 IAtWgt=           1           1
 AtmWgt=   1.0078250   1.0078250
 NucSpn=           1           1
 AtZEff=   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:28:08 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392072   0.000000
     3  C    1.392583   2.415598   0.000000
     4  C    2.398159   2.773145   1.387376   0.000000
     5  C    2.774149   2.397984   2.415055   1.395309   0.000000
     6  C    2.416549   1.392671   2.800143   2.414898   1.387546
     7  C    3.848795   4.272937   2.613670   1.512773   2.396882
     8  C    4.715533   4.717719   3.737801   2.385398   2.390432
     9  C    4.268832   3.847870   3.702146   2.386861   1.508663
    10  H    1.082570   2.146339   2.147963   3.380703   3.856679
    11  H    2.146128   1.082582   3.393834   3.855693   3.380314
    12  H    2.151827   3.397569   1.083745   2.151802   3.400328
    13  H    3.398147   2.151848   3.883706   3.400239   2.152064
    14  H    4.221206   4.853297   2.893896   2.162212   3.229097
    15  C    4.539793   5.045776   3.321404   2.517331   3.347326
    16  H    5.041902   5.047033   4.104292   2.875903   2.885189
    17  H    5.685983   5.687867   4.655111   3.318518   3.322423
    18  H    4.873233   4.241045   4.479984   3.244003   2.179651
    19  H    4.776195   4.291021   4.260372   3.003862   2.149245
    20  H    4.637015   4.911233   3.641804   2.768078   3.208435
    21  H    5.587700   6.091777   4.318933   3.468002   4.234939
    22  H    4.341029   5.093819   3.118070   2.784818   3.857550
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.710679   0.000000
     8  C    3.744501   1.549415   0.000000
     9  C    2.615644   2.464722   1.544547   0.000000
    10  H    3.394660   4.750155   5.734035   5.350211   0.000000
    11  H    2.147501   5.354441   5.737369   4.750840   2.467075
    12  H    3.883883   2.893745   4.264222   4.537632   2.476567
    13  H    1.083572   4.547941   4.274896   2.900876   4.288151
    14  H    4.463063   1.092954   2.189761   3.358816   4.991592
    15  C    4.560897   1.533364   2.566499   3.316680   5.340708
    16  H    4.117586   2.169875   1.091731   2.163585   6.022635
    17  H    4.661000   2.207723   1.090507   2.210577   6.696951
    18  H    2.913201   3.385174   2.206966   1.091132   5.943072
    19  H    3.051932   2.991846   2.194064   1.094908   5.839790
    20  H    4.306486   2.175734   2.789642   3.078550   5.488068
    21  H    5.523709   2.176637   2.861804   3.901706   6.376839
    22  H    4.901320   2.177725   3.513929   4.171244   4.964381
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.287783   0.000000
    13  H    2.475855   4.967440   0.000000
    14  H    5.923083   2.851729   5.349077   0.000000
    15  C    6.092558   3.389140   5.368828   2.145766   0.000000
    16  H    6.030438   4.585986   4.607057   2.348868   3.439576
    17  H    6.699926   5.088168   5.098159   2.764712   2.661468
    18  H    5.011004   5.364631   2.868958   4.129801   4.362263
    19  H    5.129084   5.079781   3.183265   4.011178   3.351326
    20  H    5.895698   3.931438   4.983575   3.061364   1.092366
    21  H    7.148343   4.278655   6.272998   2.479640   1.092068
    22  H    6.101836   2.901729   5.813360   2.504632   1.091321
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.760432   0.000000
    18  H    2.382786   2.772640   0.000000
    19  H    3.037286   2.428100   1.754320   0.000000
    20  H    3.829354   2.792945   4.145025   2.777321   0.000000
    21  H    3.636085   2.573308   4.859453   3.889284   1.769575
    22  H    4.290889   3.726695   5.234934   4.234433   1.762282
                   21         22
    21  H    0.000000
    22  H    1.768614   0.000000
 Stoichiometry    C10H12
 Framework group  C1[X(C10H12)]
 Deg. of freedom    60
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.295974   -1.028853   -0.128687
      2          6           0       -2.606029    0.291875    0.183416
      3          6           0       -0.973478   -1.409110   -0.342457
      4          6           0        0.029531   -0.455263   -0.247794
      5          6           0       -0.281499    0.868664    0.064239
      6          6           0       -1.598106    1.247679    0.283733
      7          6           0        1.523670   -0.639314   -0.396640
      8          6           0        2.019669    0.816964   -0.580832
      9          6           0        0.972315    1.705463    0.125740
     10          1           0       -3.088043   -1.762337   -0.209833
     11          1           0       -3.637708    0.578196    0.343549
     12          1           0       -0.735344   -2.437795   -0.586593
     13          1           0       -1.844116    2.275439    0.523140
     14          1           0        1.760590   -1.243210   -1.276257
     15          6           0        2.130571   -1.320158    0.835970
     16          1           0        2.034988    1.060247   -1.645001
     17          1           0        3.029412    0.962676   -0.195614
     18          1           0        0.857874    2.679448   -0.352616
     19          1           0        1.250132    1.896413    1.167459
     20          1           0        1.938821   -0.733184    1.737056
     21          1           0        3.211182   -1.433117    0.725825
     22          1           0        1.698191   -2.310454    0.988755
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4876774           1.1963393           0.8919853
 Leave Link  202 at Thu Jul  8 18:28:08 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     16     17     18     19     20
 Centers:      21     22
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     15
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 376 were deleted.
 There are   358 symmetry adapted cartesian basis functions of A   symmetry.
 There are   338 symmetry adapted basis functions of A   symmetry.
   338 basis functions,   614 primitive gaussians,   358 cartesian basis functions
    36 alpha electrons       36 beta electrons
       nuclear repulsion energy       505.9870942501 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   22 NActive=   22 NUniq=   22 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0410858014 Hartrees.
 Nuclear repulsion after empirical dispersion term =      505.9460084488 Hartrees.
 Leave Link  301 at Thu Jul  8 18:28:11 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   338 RedAO= T EigKep=  1.49D-06  NBF=   338
 NBsUse=   338 1.00D-06 EigRej= -1.00D+00 NBFU=   338
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   358   358   358   358   358 MxSgAt=    22 MxSgA2=    22.
 Leave Link  302 at Thu Jul  8 18:28:12 2021, MaxMem= 10737418240 cpu:               9.2 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:28:12 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "27_methylindane_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:28:13 2021, MaxMem= 10737418240 cpu:               9.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737152694 LenY= 10737024089
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -388.377488961680    
 DIIS: error= 1.90D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -388.377488961680     IErMin= 1 ErrMin= 1.90D-03
 ErrMax= 1.90D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.04D-03 BMatP= 4.04D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.90D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.225 Goal=   None    Shift=    0.000
 GapD=    0.225 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.04D-02 MaxDP=5.69D+00              OVMax= 1.25D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.96D-02    CP:  2.02D+00
 E= -388.380801955323     Delta-E=       -0.003312993643 Rises=F Damp=F
 DIIS: error= 2.18D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -388.380801955323     IErMin= 2 ErrMin= 2.18D-04
 ErrMax= 2.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.04D-05 BMatP= 4.04D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.18D-03
 Coeff-Com:  0.997D-02 0.990D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.995D-02 0.990D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.75D-03 MaxDP=2.15D-01 DE=-3.31D-03 OVMax= 2.64D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.82D-04    CP:  2.05D+00  1.04D+00
 E= -388.380807127699     Delta-E=       -0.000005172376 Rises=F Damp=F
 DIIS: error= 1.67D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -388.380807127699     IErMin= 3 ErrMin= 1.67D-04
 ErrMax= 1.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-05 BMatP= 3.04D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.67D-03
 Coeff-Com: -0.550D-02 0.486D+00 0.519D+00
 Coeff-En:   0.000D+00 0.456D+00 0.544D+00
 Coeff:     -0.549D-02 0.486D+00 0.519D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.45D-04 MaxDP=1.08D-02 DE=-5.17D-06 OVMax= 1.31D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.36D-04    CP:  2.05D+00  1.04D+00  9.25D-01
 E= -388.380837210479     Delta-E=       -0.000030082780 Rises=F Damp=F
 DIIS: error= 3.29D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -388.380837210479     IErMin= 4 ErrMin= 3.29D-05
 ErrMax= 3.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.86D-07 BMatP= 2.76D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-02 0.978D-01 0.196D+00 0.709D+00
 Coeff:     -0.251D-02 0.978D-01 0.196D+00 0.709D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=6.10D-05 MaxDP=3.18D-03 DE=-3.01D-05 OVMax= 4.48D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.11D-05    CP:  2.05D+00  1.04D+00  9.06D-01  9.66D-01
 E= -388.380837913628     Delta-E=       -0.000000703149 Rises=F Damp=F
 DIIS: error= 1.98D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -388.380837913628     IErMin= 5 ErrMin= 1.98D-05
 ErrMax= 1.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-07 BMatP= 8.86D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-02 0.288D-01 0.899D-01 0.433D+00 0.450D+00
 Coeff:     -0.118D-02 0.288D-01 0.899D-01 0.433D+00 0.450D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=1.14D-05 MaxDP=7.45D-04 DE=-7.03D-07 OVMax= 2.36D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.01D-06    CP:  2.05D+00  1.04D+00  9.12D-01  9.63D-01  8.02D-01
 E= -388.380838168455     Delta-E=       -0.000000254827 Rises=F Damp=F
 DIIS: error= 4.31D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -388.380838168455     IErMin= 6 ErrMin= 4.31D-06
 ErrMax= 4.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-08 BMatP= 2.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.350D-03 0.361D-02 0.254D-01 0.144D+00 0.248D+00 0.580D+00
 Coeff:     -0.350D-03 0.361D-02 0.254D-01 0.144D+00 0.248D+00 0.580D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=3.62D-06 MaxDP=1.57D-04 DE=-2.55D-07 OVMax= 6.22D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.89D-06    CP:  2.05D+00  1.04D+00  9.11D-01  9.66D-01  8.59D-01
                    CP:  9.03D-01
 E= -388.380838184640     Delta-E=       -0.000000016185 Rises=F Damp=F
 DIIS: error= 1.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -388.380838184640     IErMin= 7 ErrMin= 1.30D-06
 ErrMax= 1.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-09 BMatP= 1.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.859D-04-0.600D-03 0.593D-02 0.407D-01 0.996D-01 0.319D+00
 Coeff-Com:  0.536D+00
 Coeff:     -0.859D-04-0.600D-03 0.593D-02 0.407D-01 0.996D-01 0.319D+00
 Coeff:      0.536D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=1.91D-06 MaxDP=1.15D-04 DE=-1.62D-08 OVMax= 1.39D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.74D-07    CP:  2.05D+00  1.04D+00  9.13D-01  9.67D-01  8.38D-01
                    CP:  8.90D-01  6.31D-01
 E= -388.380838186400     Delta-E=       -0.000000001761 Rises=F Damp=F
 DIIS: error= 3.27D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -388.380838186400     IErMin= 8 ErrMin= 3.27D-07
 ErrMax= 3.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.61D-11 BMatP= 1.85D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.166D-05-0.451D-03-0.289D-03 0.126D-02 0.124D-01 0.515D-01
 Coeff-Com:  0.214D+00 0.722D+00
 Coeff:      0.166D-05-0.451D-03-0.289D-03 0.126D-02 0.124D-01 0.515D-01
 Coeff:      0.214D+00 0.722D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=5.49D-07 MaxDP=3.61D-05 DE=-1.76D-09 OVMax= 2.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.63D-07    CP:  2.05D+00  1.04D+00  9.12D-01  9.67D-01  8.41D-01
                    CP:  8.84D-01  6.82D-01  8.78D-01
 E= -388.380838186514     Delta-E=       -0.000000000114 Rises=F Damp=F
 DIIS: error= 6.81D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -388.380838186514     IErMin= 9 ErrMin= 6.81D-08
 ErrMax= 6.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.41D-12 BMatP= 8.61D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.409D-05-0.210D-03-0.403D-03-0.103D-02 0.235D-02 0.123D-01
 Coeff-Com:  0.851D-01 0.349D+00 0.553D+00
 Coeff:      0.409D-05-0.210D-03-0.403D-03-0.103D-02 0.235D-02 0.123D-01
 Coeff:      0.851D-01 0.349D+00 0.553D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=9.29D-08 MaxDP=5.86D-06 DE=-1.14D-10 OVMax= 7.04D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.36D-08    CP:  2.05D+00  1.04D+00  9.12D-01  9.67D-01  8.41D-01
                    CP:  8.84D-01  6.86D-01  8.89D-01  1.01D+00
 E= -388.380838186505     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -388.380838186514     IErMin=10 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.52D-13 BMatP= 5.41D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-05-0.549D-04-0.145D-03-0.501D-03 0.229D-03 0.135D-02
 Coeff-Com:  0.209D-01 0.940D-01 0.245D+00 0.639D+00
 Coeff:      0.148D-05-0.549D-04-0.145D-03-0.501D-03 0.229D-03 0.135D-02
 Coeff:      0.209D-01 0.940D-01 0.245D+00 0.639D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=2.64D-08 MaxDP=1.71D-06 DE= 8.98D-12 OVMax= 3.56D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.36D-08    CP:  2.05D+00  1.04D+00  9.12D-01  9.67D-01  8.41D-01
                    CP:  8.84D-01  6.86D-01  8.93D-01  1.02D+00  8.88D-01
 E= -388.380838186483     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 1.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -388.380838186514     IErMin=11 ErrMin= 1.14D-08
 ErrMax= 1.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-13 BMatP= 3.52D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.411D-06-0.791D-05-0.415D-04-0.199D-03-0.156D-03-0.825D-03
 Coeff-Com:  0.233D-02 0.141D-01 0.829D-01 0.406D+00 0.496D+00
 Coeff:      0.411D-06-0.791D-05-0.415D-04-0.199D-03-0.156D-03-0.825D-03
 Coeff:      0.233D-02 0.141D-01 0.829D-01 0.406D+00 0.496D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=9.01D-09 MaxDP=5.21D-07 DE= 2.16D-11 OVMax= 1.74D-07

 SCF Done:  E(RB3LYP) =  -388.380838186     A.U. after   11 cycles
            NFock= 11  Conv=0.90D-08     -V/T= 2.0060
 KE= 3.860498981277D+02 PE=-1.911276530835D+03 EE= 6.308997860723D+02
 Leave Link  502 at Thu Jul  8 18:30:02 2021, MaxMem= 10737418240 cpu:            1727.9 elap:             108.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   338
 NBasis=   338 NAE=    36 NBE=    36 NFC=     0 NFV=     0
 NROrb=    338 NOA=    36 NOB=    36 NVA=   302 NVB=   302

 **** Warning!!: The largest alpha MO coefficient is  0.14828282D+03

 Leave Link  801 at Thu Jul  8 18:30:02 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6795 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          22
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.81D-13 8.33D-09 XBig12= 1.00D+00 5.36D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.81D-13 8.33D-09 XBig12= 4.36D-01 1.17D-01.
     11 vectors produced by pass  2 Test12= 1.81D-13 8.33D-09 XBig12= 6.33D-02 6.28D-02.
     11 vectors produced by pass  3 Test12= 1.81D-13 8.33D-09 XBig12= 5.22D-03 1.71D-02.
     11 vectors produced by pass  4 Test12= 1.81D-13 8.33D-09 XBig12= 6.94D-04 7.22D-03.
     11 vectors produced by pass  5 Test12= 1.81D-13 8.33D-09 XBig12= 2.12D-05 7.07D-04.
     11 vectors produced by pass  6 Test12= 1.81D-13 8.33D-09 XBig12= 3.40D-07 1.08D-04.
     11 vectors produced by pass  7 Test12= 1.81D-13 8.33D-09 XBig12= 4.44D-09 7.79D-06.
     11 vectors produced by pass  8 Test12= 1.81D-13 8.33D-09 XBig12= 8.70D-11 1.50D-06.
      6 vectors produced by pass  9 Test12= 1.81D-13 8.33D-09 XBig12= 1.01D-12 3.35D-07.
      2 vectors produced by pass 10 Test12= 1.81D-13 8.33D-09 XBig12= 2.05D-14 2.44D-08.
      1 vectors produced by pass 11 Test12= 1.81D-13 8.33D-09 XBig12= 9.19D-15 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.150487D+03
      2  0.166760D+01  0.127173D+03
      3 -0.223250D+01  0.530479D+01  0.853188D+02
 Isotropic polarizability for W=    0.085645      120.99 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.845887D+02 -0.133060D+02  0.825864D+01
      2   0.401211D+02  0.563946D+01 -0.546602D+01
      3   0.444676D+02  0.766650D+01 -0.279262D+01
      4  -0.232811D+02 -0.384326D+02 -0.321582D+02
      5   0.227562D+02 -0.324106D+02  0.354403D+02
      6  -0.142767D+02  0.758200D+01 -0.308568D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.310085D+01 -0.263745D+01  0.288911D+01
      2   0.107883D+02 -0.152659D+02  0.124407D+02
      3   0.121063D+01  0.360354D+02  0.121724D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.252387D+00  0.130480D+02  0.107522D+02
      2  -0.144976D+02 -0.178815D+02 -0.902728D+01
      3  -0.997519D+01  0.785537D+02  0.181339D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.160985D+01 -0.221891D+01 -0.927812D+00
      2  -0.221891D+01  0.316624D+01 -0.342820D+01
      3  -0.927812D+00 -0.342820D+01 -0.154905D+01
 OR G Eigenvalues:    -4.6030    -0.7177     5.3280  Iso=    -0.0024
 Eigenvectors:
   (1)   0.557074   0.463240   0.689258
   (2)   0.798625  -0.071221  -0.597600
   (3)  -0.227743   0.883366  -0.409631
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0024 au.
 Molar Mass =    132.2048 grams/mole, [Alpha] ( 5320.0 A) =       -0.88 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   57291 ScalPx= 2.44D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.22D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.02D-14 2.78D-09 XBig12= 1.00D+00 3.95D-01.
     30 vectors produced by pass  1 Test12= 3.02D-14 2.78D-09 XBig12= 3.41D-02 3.49D-02.
     30 vectors produced by pass  2 Test12= 3.02D-14 2.78D-09 XBig12= 7.29D-04 5.20D-03.
     30 vectors produced by pass  3 Test12= 3.02D-14 2.78D-09 XBig12= 1.46D-05 3.77D-04.
     30 vectors produced by pass  4 Test12= 3.02D-14 2.78D-09 XBig12= 1.26D-07 4.42D-05.
     30 vectors produced by pass  5 Test12= 3.02D-14 2.78D-09 XBig12= 6.39D-10 3.62D-06.
     30 vectors produced by pass  6 Test12= 3.02D-14 2.78D-09 XBig12= 1.76D-12 1.71D-07.
      6 vectors produced by pass  7 Test12= 3.02D-14 2.78D-09 XBig12= 1.77D-14 2.06D-08.
      4 vectors produced by pass  8 Test12= 3.02D-14 2.78D-09 XBig12= 2.00D-15 5.79D-09.
      1 vectors produced by pass  9 Test12= 3.02D-14 2.78D-09 XBig12= 9.87D-16 3.51D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.78D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 7.57D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   57291 ScalPx= 7.57D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   57291 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.39D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150487D+03  0.166760D+01 -0.223250D+01
      2   0.166760D+01  0.127173D+03  0.530479D+01
      3  -0.223250D+01  0.530479D+01  0.853188D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.310085D+01 -0.263745D+01  0.288911D+01
      2   0.107883D+02 -0.152659D+02  0.124407D+02
      3   0.121063D+01  0.360354D+02  0.121724D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.845887D+02 -0.133060D+02  0.825864D+01
      2   0.401211D+02  0.563946D+01 -0.546602D+01
      3   0.444676D+02  0.766650D+01 -0.279262D+01
      4  -0.232811D+02 -0.384326D+02 -0.321582D+02
      5   0.227562D+02 -0.324106D+02  0.354403D+02
      6  -0.142767D+02  0.758200D+01 -0.308568D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.503319D+00 -0.171407D+01 -0.798315D+00 -0.601663D+01  0.478379D+00
      2  -0.171407D+01 -0.282061D+01 -0.762702D+00  0.478379D+00 -0.235965D+01
      3  -0.798315D+00 -0.762702D+00 -0.245837D+01  0.118351D+01  0.108914D+01
                 6             7             8             9            10 
      1   0.118351D+01 -0.199634D+01  0.824513D+00 -0.409790D+01 -0.520052D+01
      2   0.108914D+01  0.824513D+00  0.151466D+01 -0.331341D+01  0.154322D+01
      3  -0.241843D+01 -0.409790D+01 -0.331341D+01 -0.988592D+00 -0.521682D+00
                11            12            13            14            15 
      1   0.154322D+01 -0.521682D+00  0.313861D+01  0.236748D+01  0.146082D+01
      2  -0.299035D+01  0.707376D-01  0.236748D+01  0.203471D+01 -0.682440D+00
      3   0.707376D-01 -0.303917D+01  0.146082D+01 -0.682440D+00  0.801892D+00
                16            17            18            19            20 
      1   0.274520D+00  0.156629D+01 -0.534149D+01 -0.171135D+01  0.458654D+01
      2   0.156629D+01  0.320259D+00  0.121893D+01  0.458654D+01  0.138433D+01
      3  -0.534149D+01  0.121893D+01  0.186407D+01  0.669598D+00 -0.278041D+00
                21            22            23            24            25 
      1   0.669598D+00 -0.603307D+01  0.820066D+00 -0.214427D+00 -0.973982D+00
      2  -0.278041D+00  0.820066D+00 -0.231425D+01  0.113448D+01 -0.126668D+01
      3   0.830134D+00 -0.214427D+00  0.113448D+01 -0.200186D+01 -0.360524D+00
                26            27            28            29            30 
      1  -0.126668D+01 -0.360524D+00  0.157209D+02 -0.473597D+01 -0.197152D+00
      2   0.108770D+01 -0.368017D+01 -0.473597D+01  0.510851D+01  0.190943D+00
      3  -0.368017D+01 -0.281348D+01 -0.197152D+00  0.190943D+00  0.197648D+01
                31            32            33            34            35 
      1  -0.932375D+01 -0.185809D+01 -0.597175D+00 -0.162036D+01 -0.120450D+01
      2  -0.185809D+01 -0.582032D+00 -0.173220D-01 -0.120450D+01 -0.524524D+00
      3  -0.597175D+00 -0.173220D-01 -0.108256D+00  0.333529D+01 -0.155061D+01
                36            37            38            39            40 
      1   0.333529D+01  0.313394D+01  0.427675D+01  0.934032D+00  0.138683D+02
      2  -0.155061D+01  0.427675D+01  0.677919D+01  0.142504D+01  0.307619D+01
      3  -0.159267D+01  0.934032D+00  0.142504D+01  0.195328D+01  0.232257D+00
                41            42            43            44            45 
      1   0.307619D+01  0.232257D+00  0.302044D+01  0.217187D+00  0.230088D+01
      2   0.558560D+01 -0.375733D+00  0.217187D+00 -0.115171D+01  0.242807D+01
      3  -0.375733D+00  0.106778D+01  0.230088D+01  0.242807D+01  0.585097D+00
                46            47            48            49            50 
      1   0.163858D+01 -0.405729D+01 -0.470718D+00  0.552794D+01 -0.836595D+00
      2  -0.405729D+01 -0.277547D+01  0.370814D+00 -0.836595D+00  0.132312D+01
      3  -0.470718D+00  0.370814D+00  0.243368D+00  0.179452D+00 -0.965127D+00
                51            52            53            54            55 
      1   0.179452D+00  0.503516D+00  0.115016D+01 -0.181686D+01 -0.419940D+01
      2  -0.965127D+00  0.115016D+01 -0.808868D+00  0.363958D+01  0.359905D+01
      3   0.233102D+01 -0.181686D+01  0.363958D+01  0.242339D+01 -0.215686D+00
                56            57            58            59            60 
      1   0.359905D+01 -0.215686D+00  0.511256D+01 -0.492740D+01  0.749009D+00
      2  -0.331775D+01  0.931060D+00 -0.492740D+01 -0.175988D+01  0.183283D+01
      3   0.931060D+00 -0.259006D+01  0.749009D+00  0.183283D+01  0.364651D+01
                61            62            63            64            65 
      1  -0.283709D+01  0.138276D+01 -0.491620D+01 -0.675491D+01 -0.220382D+01
      2   0.138276D+01  0.620613D+00  0.489238D+01 -0.220382D+01  0.197317D+01
      3  -0.491620D+01  0.489238D+01  0.161450D+01 -0.235846D+01  0.192389D+00
                66            67            68            69            70 
      1  -0.235846D+01 -0.178681D+01  0.159736D+01  0.355908D+00 -0.428407D+01
      2   0.192389D+00  0.159736D+01  0.308965D+01 -0.138546D+01 -0.171966D+00
      3   0.623795D+00  0.355908D+00 -0.138546D+01 -0.148931D+01 -0.460292D+00
                71            72            73            74            75 
      1  -0.171966D+00 -0.460292D+00 -0.269768D+01 -0.947580D+00 -0.497557D+00
      2  -0.164861D+00 -0.255868D+01 -0.947580D+00 -0.235461D+01 -0.197751D+01
      3  -0.255868D+01  0.613594D+01 -0.497557D+00 -0.197751D+01 -0.192875D+01
                76            77            78            79            80 
      1  -0.111414D+01 -0.420885D+01 -0.154203D+01 -0.226588D+01 -0.308494D+01
      2  -0.420885D+01 -0.868057D+01  0.161771D+01 -0.308494D+01  0.159016D+01
      3  -0.154203D+01  0.161771D+01 -0.109986D+01 -0.359651D+01 -0.349302D+01
                81            82            83            84            85 
      1  -0.359651D+01 -0.749183D+01 -0.465794D+01 -0.393957D+00 -0.453551D+01
      2  -0.349302D+01 -0.465794D+01 -0.346698D+01 -0.253294D+00 -0.452965D+01
      3  -0.480592D+01 -0.393957D+00 -0.253294D+00 -0.537749D+00 -0.700384D+00
                86            87            88            89            90 
      1  -0.452965D+01 -0.700384D+00 -0.248354D+00 -0.527009D+00  0.426838D-01
      2  -0.503657D+01 -0.648066D+00 -0.527009D+00 -0.909703D+00 -0.144798D-01
      3  -0.648066D+00 -0.553075D+00  0.426838D-01 -0.144798D-01 -0.686120D-01
                91            92            93            94            95 
      1  -0.129423D+02  0.248569D+01  0.162080D+01  0.255399D+01 -0.212288D+01
      2   0.248569D+01 -0.113385D+01 -0.320875D+00 -0.212288D+01  0.102401D+01
      3   0.162080D+01 -0.320875D+00 -0.894806D+00 -0.701182D+00  0.344245D+00
                96            97            98            99           100 
      1  -0.701182D+00  0.166362D+01 -0.665809D+00 -0.851435D-01  0.505445D+00
      2   0.344245D+00 -0.665809D+00  0.257588D+00  0.680191D-01 -0.137342D+01
      3   0.303079D+00 -0.851435D-01  0.680191D-01  0.159911D+00 -0.342451D+00
               101           102           103           104           105 
      1  -0.137342D+01 -0.342451D+00 -0.864943D+00  0.758588D+00  0.165366D+00
      2   0.135852D+01  0.461886D+00  0.758588D+00 -0.100733D+02 -0.228299D+01
      3   0.461886D+00  0.217402D+00  0.165366D+00 -0.228299D+01 -0.127005D+01
               106           107           108           109           110 
      1  -0.301596D+00  0.455839D+00  0.280425D-01 -0.140715D+01  0.192155D+01
      2   0.455839D+00 -0.241263D+01 -0.576174D+00  0.192155D+01 -0.198661D+01
      3   0.280425D-01 -0.576174D+00 -0.310734D+00  0.490212D+00 -0.535270D+00
               111           112           113           114           115 
      1   0.490212D+00  0.167515D+01 -0.300402D+01 -0.687383D+00  0.487982D+00
      2  -0.535270D+00 -0.300402D+01  0.995214D+01  0.210687D+01 -0.845744D+00
      3  -0.361648D+00 -0.687383D+00  0.210687D+01  0.118897D+01 -0.257440D+00
               116           117           118           119           120 
      1  -0.845744D+00 -0.257440D+00  0.225808D+01 -0.154545D+01 -0.149246D+01
      2   0.216126D+01  0.495192D+00 -0.154545D+01  0.107386D+01  0.463062D+00
      3   0.495192D+00  0.320508D+00 -0.149246D+01  0.463062D+00  0.145640D+01
               121           122           123           124           125 
      1  -0.355997D+01  0.254227D+01  0.106486D+01 -0.266103D+01  0.139153D+01
      2   0.254227D+01 -0.328894D+01 -0.228946D+01  0.139153D+01 -0.254099D+01
      3   0.106486D+01 -0.228946D+01 -0.305367D+01  0.284020D+01 -0.311410D+01
               126           127           128           129           130 
      1   0.284020D+01 -0.939272D+01  0.203735D+01  0.666001D+00 -0.174206D+01
      2  -0.311410D+01  0.203735D+01  0.292260D+01 -0.139955D+01  0.339111D+01
      3  -0.553158D+01  0.666001D+00 -0.139955D+01  0.231981D+01 -0.155656D+01
               131           132           133           134           135 
      1   0.339111D+01 -0.155656D+01  0.639531D+01 -0.286470D+01  0.341479D+01
      2   0.357801D+01 -0.154108D+01 -0.286470D+01  0.227290D+00 -0.386018D+01
      3  -0.154108D+01 -0.343022D+01  0.341479D+01 -0.386018D+01 -0.158831D+01
               136           137           138           139           140 
      1   0.120425D+01  0.571652D+00 -0.101764D+01  0.535854D+00  0.428700D+00
      2   0.571652D+00 -0.148179D+00 -0.224824D+00  0.428700D+00  0.842825D+00
      3  -0.101764D+01 -0.224824D+00  0.173262D+00 -0.542385D+00 -0.123784D+01
               141           142           143           144           145 
      1  -0.542385D+00 -0.148525D+01 -0.637974D+00  0.232767D+01  0.112014D+02
      2  -0.123784D+01 -0.637974D+00 -0.190472D+01  0.262623D+01  0.220776D+01
      3   0.166309D+01  0.232767D+01  0.262623D+01 -0.894986D+01  0.930471D+00
               146           147           148           149           150 
      1   0.220776D+01  0.930471D+00  0.140997D+01  0.134741D+01  0.145782D-01
      2   0.135800D+01 -0.480111D-01  0.134741D+01  0.506183D+00  0.282299D+00
      3  -0.480111D-01  0.109815D+01  0.145782D-01  0.282299D+00  0.302442D+00
               151           152           153           154           155 
      1   0.346655D+01  0.644899D+00  0.155377D+01 -0.132438D+00  0.921445D+00
      2   0.644899D+00  0.658018D+00  0.551819D+00  0.921445D+00 -0.869932D+00
      3   0.155377D+01  0.551819D+00  0.291680D-01 -0.359881D+00  0.207840D+00
               156           157           158           159           160 
      1  -0.359881D+00  0.203603D+01  0.214681D+01 -0.238478D+00 -0.376979D+00
      2   0.207840D+00  0.214681D+01  0.111949D+02 -0.199639D+01 -0.149485D+00
      3   0.100680D+00 -0.238478D+00 -0.199639D+01  0.124573D+01  0.807081D+00
               161           162           163           164           165 
      1  -0.149485D+00  0.807081D+00  0.252581D+01  0.131737D+01  0.164952D+01
      2  -0.356887D+01  0.227548D+01  0.131737D+01  0.926194D+00  0.950316D+00
      3   0.227548D+01 -0.621852D+00  0.164952D+01  0.950316D+00  0.153270D+01
               166           167           168           169           170 
      1   0.897915D+00  0.184295D+01  0.792080D+00  0.442404D+01  0.291339D+01
      2   0.184295D+01  0.311092D+01  0.154641D+01  0.291339D+01  0.343970D+01
      3   0.792080D+00  0.154641D+01  0.120666D+01  0.316451D+01  0.374109D+01
               171           172           173           174           175 
      1   0.316451D+01  0.500924D+00  0.270451D+00  0.590914D+00  0.102768D+01
      2   0.374109D+01  0.270451D+00 -0.580836D+00  0.126788D+00 -0.414484D+00
      3   0.695212D+01  0.590914D+00  0.126788D+00 -0.994223D+00  0.487375D+00
               176           177           178           179           180 
      1  -0.414484D+00  0.487375D+00  0.962632D+00 -0.218688D-01  0.416437D+00
      2   0.968829D+00  0.117636D+01 -0.218688D-01  0.150689D+01  0.117355D+01
      3   0.117636D+01  0.280978D+01  0.416437D+00  0.117355D+01  0.611589D+01
               181           182           183           184           185 
      1   0.139063D+02 -0.348083D+01  0.107196D+01 -0.135719D+01  0.142306D+01
      2  -0.348083D+01  0.178865D+01 -0.442655D+00  0.142306D+01 -0.124956D+01
      3   0.107196D+01 -0.442655D+00  0.125612D+01  0.806046D-01  0.231187D+00
               186           187           188           189           190 
      1   0.806046D-01 -0.177642D+01  0.616729D+00  0.954962D+00 -0.161985D+00
      2   0.231187D+00  0.616729D+00 -0.483154D+00  0.333535D-01 -0.102245D+01
      3   0.196794D+00  0.954962D+00  0.333535D-01  0.341492D-01  0.424517D-01
               191           192           193           194           195 
      1  -0.102245D+01  0.424517D-01 -0.144995D+01 -0.318390D+00  0.141875D-01
      2  -0.222786D+01  0.851862D+00 -0.318390D+00 -0.786618D+01  0.206039D+01
      3   0.851862D+00 -0.976804D+00  0.141875D-01  0.206039D+01 -0.133901D+01
               196           197           198 
      1  -0.371268D+00  0.277377D+00 -0.253956D+00
      2   0.277377D+00  0.108590D+01 -0.982885D+00
      3  -0.253956D+00 -0.982885D+00  0.103686D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.226385D+01  0.865359D+00 -0.472027D+01  0.290760D+01 -0.542965D+00
      2   0.272322D+01  0.195401D+01  0.475938D+01 -0.264789D+01 -0.318309D+01
      3  -0.656373D+01 -0.116161D+02 -0.121649D+01  0.868155D+01 -0.384883D+01
                 6             7             8             9            10 
      1  -0.878162D+00 -0.839600D+01  0.501331D+01  0.230001D+01  0.674626D+00
      2   0.774256D+01 -0.538015D-01  0.112888D+02  0.391785D+01 -0.948409D+00
      3   0.167896D+01  0.289204D+01  0.362504D+01 -0.491143D+01  0.541856D+01
                11            12            13            14            15 
      1   0.298696D+00  0.239788D+01 -0.381041D+00 -0.291773D+01  0.277436D+01
      2  -0.183527D+00  0.901532D+01 -0.398408D+01  0.115556D+01 -0.317398D+01
      3  -0.992107D+01 -0.272056D+00  0.120692D+02  0.395386D+01 -0.215846D+01
                16            17            18            19            20 
      1   0.487430D+01  0.112137D+02  0.234444D+01  0.969268D+00 -0.117807D+01
      2   0.794383D+01 -0.550686D+01 -0.486174D+01 -0.512015D+01  0.314588D+01
      3   0.379734D+01 -0.145077D+01  0.212636D+01  0.955863D+01 -0.593771D+01
                21            22            23            24            25 
      1   0.360350D+01 -0.881850D+00  0.123890D+01 -0.387381D+01  0.375332D+01
      2  -0.193315D+01  0.167139D+01  0.725435D+00  0.244862D+01 -0.144834D+02
      3  -0.380051D+01  0.629881D+01 -0.776100D+01  0.167894D+00 -0.365102D+01
                26            27            28            29            30 
      1   0.431824D+00 -0.160758D+01  0.309486D+00  0.810863D-02  0.203304D+01
      2   0.312452D+01  0.380093D+01  0.263823D+01 -0.393550D+01 -0.163267D+01
      3   0.979038D+00 -0.569027D+01 -0.611845D+01  0.139530D+02  0.206829D+01
                31            32            33            34            35 
      1   0.407420D+00 -0.349661D+01 -0.129736D+01  0.388326D+01  0.101783D+02
      2  -0.214768D+01  0.762089D+00  0.256293D+00 -0.148459D+02 -0.409821D+00
      3   0.121438D+02 -0.110670D+02  0.167821D+01 -0.473390D+00 -0.174442D+01
                36            37            38            39            40 
      1   0.758447D+00 -0.214807D+01 -0.249781D+00 -0.162521D+01  0.538266D+00
      2   0.791340D+00 -0.122784D-01  0.137706D+00 -0.169575D+01  0.443349D+01
      3  -0.248795D+01 -0.254349D+01  0.103367D+02  0.271895D+01  0.121096D+02
                41            42            43            44            45 
      1  -0.806999D+00 -0.531048D+00 -0.411623D+01  0.764506D+01  0.163638D+01
      2  -0.310600D+01 -0.128227D+01 -0.141816D+02 -0.751147D+00 -0.124324D+00
      3   0.200407D+02  0.149602D+01 -0.128682D+01  0.353027D+01  0.466900D+01
                46            47            48            49            50 
      1   0.910620D+00 -0.931802D+00 -0.137606D+01 -0.521066D+00  0.125801D+00
      2   0.535391D+00  0.195422D+01 -0.129149D+01  0.221058D+01  0.239631D+01
      3  -0.546642D+01 -0.152187D+02 -0.211546D+01  0.762802D-01  0.420276D+01
                51            52            53            54            55 
      1  -0.411237D+01  0.240040D+01  0.790351D+00 -0.103172D+01 -0.212956D+01
      2  -0.600085D+01 -0.111848D+02 -0.880608D+01 -0.366039D+01 -0.104388D+01
      3  -0.170826D+01 -0.226836D+01 -0.227551D+01  0.562532D+01 -0.130287D+00
                56            57            58            59            60 
      1   0.732000D+00 -0.331929D+01  0.333743D+00  0.475497D+01  0.679787D+00
      2   0.358366D+01 -0.182028D+01  0.450538D+01  0.411437D+00  0.686646D+01
      3  -0.397769D+01  0.758165D+00  0.104171D+02  0.132650D+02 -0.534516D+01
                61            62            63            64            65 
      1  -0.675737D+01  0.742594D+01  0.355302D+00  0.449873D+01 -0.222905D+01
      2  -0.160258D+02  0.104345D+02  0.125730D+01 -0.131117D+02 -0.912451D+00
      3   0.237190D+01 -0.579546D+01 -0.509646D+01  0.235214D+00 -0.115271D+02
                66            67            68            69            70 
      1  -0.754700D+00 -0.842305D+00 -0.243792D+01  0.141597D+01  0.119833D+01
      2   0.153031D+01  0.411011D+00 -0.647014D+00 -0.413140D+01 -0.945912D+01
      3  -0.381675D+01 -0.742403D+01 -0.767734D+01  0.531720D+01 -0.690387D+01
                71            72            73            74            75 
      1   0.566331D+01 -0.468611D+01  0.186027D+01  0.534459D+01  0.422618D+01
      2  -0.789366D+01  0.138853D+02  0.142868D+00 -0.166130D+01 -0.239535D+00
      3   0.346857D+01  0.577222D+01 -0.513102D+01 -0.404858D+01  0.109730D+01
                76            77            78            79            80 
      1   0.199914D+01 -0.900497D+01  0.853336D+00  0.113136D+02  0.141869D+02
      2  -0.190419D+01  0.307594D+01  0.141214D+00 -0.872139D+01 -0.292422D+01
      3   0.119878D+02 -0.100804D+01 -0.794523D+01 -0.518730D+00 -0.145363D+02
                81            82            83            84            85 
      1   0.105985D+02  0.277922D+00  0.470033D+00 -0.230937D+01 -0.430331D+00
      2  -0.359939D+01 -0.515769D+00 -0.430869D+00  0.357753D+01  0.928807D+00
      3  -0.566849D+01 -0.191804D+01 -0.557319D+01  0.253405D-01 -0.414785D+01
                86            87            88            89            90 
      1  -0.686180D-01 -0.263011D+01  0.126024D+01  0.142125D+01 -0.218636D+00
      2   0.996194D+00  0.296942D+01 -0.160593D+01 -0.110665D+01  0.170288D+00
      3  -0.898995D+01 -0.824609D+00 -0.111662D+01 -0.169905D+01  0.173137D+00
                91            92            93            94            95 
      1  -0.202603D+00 -0.592809D+00  0.118510D+01 -0.273714D-01  0.197900D+00
      2  -0.192923D+01  0.394114D+00  0.585780D+01  0.167342D+01 -0.780019D+00
      3   0.199712D+01 -0.546155D+01 -0.303515D+00 -0.411346D+01  0.286346D+01
                96            97            98            99           100 
      1  -0.755391D+00 -0.913644D+00  0.582175D+00 -0.120212D+00  0.290994D+00
      2  -0.169632D+01 -0.248214D+01  0.595537D+00 -0.567257D+00  0.677025D+00
      3   0.750549D+00 -0.186252D+01  0.150124D+01  0.855732D-01 -0.389418D+01
               101           102           103           104           105 
      1   0.521210D-01  0.965933D+00 -0.264533D+00  0.819337D+00 -0.462598D+01
      2  -0.100856D+01  0.341370D-01 -0.132341D+01  0.253154D+01  0.571949D+00
      3   0.409578D+01  0.109367D+01  0.633240D+01 -0.129640D+02 -0.307452D+01
               106           107           108           109           110 
      1  -0.282095D+00  0.220159D+01 -0.649057D+00 -0.195037D+00  0.152528D+00
      2  -0.130495D+01  0.616135D+00 -0.822636D-01 -0.362850D+00  0.447921D+00
      3   0.148004D+01 -0.333795D+01 -0.449437D+00  0.806878D+00 -0.118305D+01
               111           112           113           114           115 
      1   0.115571D+01  0.130285D+00  0.647964D+00 -0.461835D+01 -0.335212D+00
      2   0.105054D+01  0.182557D+00 -0.334519D+01 -0.262917D+01 -0.815151D+00
      3  -0.339025D+00  0.597222D+00  0.149902D+02  0.309587D+01 -0.180865D+00
               116           117           118           119           120 
      1   0.201679D+01 -0.680553D+00 -0.855463D+00 -0.525818D+00  0.157744D+01
      2  -0.377518D-01 -0.352535D+00 -0.103844D+01  0.452625D+00  0.308310D+01
      3   0.339233D+01  0.276666D+00  0.119953D+01 -0.338001D+01  0.137044D+00
               121           122           123           124           125 
      1   0.330539D+00  0.534791D+00 -0.297469D+01  0.233095D+01  0.966808D+00
      2  -0.108891D+00 -0.260875D+01 -0.552910D+01  0.169291D+01 -0.429418D+01
      3   0.916000D+00  0.344562D+01  0.385923D+01  0.105125D+01  0.504092D+01
               126           127           128           129           130 
      1  -0.383799D+01  0.321505D+01  0.192131D+01  0.321310D+01 -0.189326D+01
      2  -0.841281D+01  0.125336D+02 -0.732994D+01  0.865826D+01 -0.712422D+01
      3   0.406135D+01  0.103425D+02 -0.145936D+02  0.194206D+01 -0.597124D+01
               131           132           133           134           135 
      1   0.417534D+01 -0.119469D+02  0.294091D+01 -0.657774D+01 -0.686375D+01
      2  -0.593437D+01 -0.799423D+01  0.628715D+01 -0.849673D+01 -0.622936D+01
      3  -0.186434D+02  0.775903D+01 -0.182461D+00  0.748761D+01  0.518984D+01
               136           137           138           139           140 
      1   0.185806D-01  0.723264D+00  0.341786D-01  0.870957D+00  0.679951D-02
      2  -0.400284D+00 -0.115920D+00  0.811309D+00 -0.379387D+00 -0.254878D+01
      3  -0.748978D+00  0.728668D+00 -0.192586D+00  0.293634D+01 -0.110890D+01
               141           142           143           144           145 
      1  -0.143499D+01 -0.142672D+01  0.220485D+01  0.677427D+01 -0.245789D+01
      2   0.348449D+01  0.951606D+00  0.491615D+01 -0.189562D+02  0.937698D+01
      3   0.232989D+01 -0.983493D+00  0.520214D+01 -0.288538D+01  0.686453D+01
               146           147           148           149           150 
      1  -0.810734D+00 -0.161558D+01 -0.835136D+00 -0.490430D+00 -0.131900D+01
      2   0.129289D+01  0.654808D+01  0.991021D+00  0.154700D+01  0.115407D+01
      3  -0.562740D+01  0.118723D+01 -0.586697D+00  0.221214D+00 -0.124834D+01
               151           152           153           154           155 
      1  -0.183906D+01 -0.793788D-01 -0.804829D+00  0.411883D+00 -0.941176D+00
      2   0.458136D+01  0.161415D+01  0.172300D+01  0.252059D+00  0.603238D+00
      3   0.254979D+01 -0.274202D+01  0.210734D+00 -0.140802D+01  0.127007D+00
               156           157           158           159           160 
      1  -0.228263D-01  0.220415D+01  0.664026D+01 -0.598161D+01 -0.222825D+01
      2   0.114736D+01 -0.687046D+00 -0.252605D+01  0.134699D+01  0.329022D+00
      3  -0.135741D+01  0.474019D+01 -0.905416D+01  0.235121D+01 -0.208799D+01
               161           162           163           164           165 
      1  -0.461762D+01  0.232486D+01 -0.343720D+01 -0.137581D+01 -0.386712D+01
      2   0.160205D+01 -0.853791D+00 -0.564000D+00  0.775744D+00  0.273491D+01
      3   0.523145D+01 -0.982413D+00  0.658127D+01  0.357102D+00  0.232757D+01
               166           167           168           169           170 
      1  -0.151423D+01 -0.168087D+01 -0.323376D+01 -0.750789D+01 -0.592169D+01
      2   0.693756D+00  0.111475D+01  0.150984D+01  0.140986D+01  0.322258D+01
      3  -0.312018D+00 -0.194544D+00  0.176922D+00  0.730961D+01  0.239964D+01
               171           172           173           174           175 
      1  -0.161490D+02  0.132301D+01 -0.144692D+01 -0.144645D+01 -0.615099D+00
      2   0.682268D+01  0.160296D+01 -0.263988D+00 -0.236491D+01 -0.972897D+00
      3   0.259437D+01 -0.966057D+00  0.900072D+00 -0.672975D+00  0.109586D+01
               176           177           178           179           180 
      1   0.514752D+01  0.487988D+01 -0.191339D+00  0.686670D+01  0.107581D+02
      2   0.364691D+01  0.675347D+01 -0.315919D+01  0.378057D+01  0.143801D+02
      3  -0.259479D+01 -0.361860D+01 -0.582516D+00 -0.437373D+01 -0.379456D+01
               181           182           183           184           185 
      1   0.267318D+00  0.104532D+01  0.253292D+01  0.885700D+00 -0.582108D+00
      2  -0.797573D+01  0.925186D+00  0.637900D+01  0.131194D+01 -0.157801D-01
      3  -0.143918D+02 -0.320103D+01 -0.252084D+00  0.881392D-01  0.185687D+01
               186           187           188           189           190 
      1  -0.217881D+00  0.121729D+01  0.101882D+01  0.222818D+00 -0.133808D+01
      2   0.720273D-01  0.136269D+01  0.314379D+00 -0.422819D+00  0.142524D+01
      3  -0.566212D+00  0.693468D+00 -0.333217D+00 -0.187557D+01  0.544162D+01
               191           192           193           194           195 
      1  -0.133136D+01 -0.186809D+01 -0.128641D+01 -0.491229D+01 -0.283161D+01
      2   0.282677D+01 -0.154960D+01  0.226634D+01  0.633187D+01 -0.288008D+01
      3   0.718221D+01 -0.167694D+01  0.730482D+01  0.209090D+02 -0.528965D+01
               196           197           198 
      1  -0.344197D+00  0.954939D+00  0.123660D+01
      2  -0.147520D+01 -0.211902D+01  0.249219D+01
      3  -0.467913D-01 -0.356989D+01  0.305739D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393209D+01 -0.236910D+02 -0.366085D+01  0.312132D+02  0.827031D+00
      2  -0.144176D+01  0.162911D+02 -0.220172D+01 -0.311803D+02 -0.464152D+01
      3   0.537385D+01  0.739996D+01  0.586257D+01 -0.328680D-01  0.381449D+01
      4  -0.201799D+02  0.118118D+02  0.539578D+01  0.202478D+01 -0.157693D+02
      5   0.208429D+01  0.343150D+01  0.113495D+02 -0.684866D+01 -0.923215D+01
      6   0.266886D+01  0.263825D+01  0.107700D+02 -0.888365D+01 -0.509639D+01
                 6             7             8             9            10 
      1  -0.109666D+00  0.118920D+02  0.391455D+01  0.666123D+01 -0.109681D+02
      2   0.251440D+01 -0.129639D+02 -0.647048D+01 -0.111786D+02  0.586776D+01
      3  -0.240473D+01  0.107194D+01  0.255593D+01  0.451737D+01  0.510032D+01
      4  -0.115310D+02 -0.197647D+01 -0.107307D+02  0.139385D+02  0.694415D+01
      5   0.160203D+02  0.274495D+02  0.160779D+02  0.814467D+01  0.739231D+01
      6   0.317676D+01  0.863740D+01  0.122196D+02 -0.296257D+01 -0.145322D+00
                11            12            13            14            15 
      1   0.739418D+01  0.837347D+01 -0.232594D+02 -0.194424D+02 -0.714061D+01
      2  -0.441940D+01 -0.238711D+01  0.205964D+02  0.188524D+02  0.932358D+01
      3  -0.297478D+01 -0.598636D+01  0.266301D+01  0.589931D+00 -0.218297D+01
      4   0.253155D+02 -0.864112D+00 -0.225275D+02  0.130464D+02  0.878867D+01
      5  -0.103317D+01  0.194979D+02 -0.126466D+02  0.591435D+01 -0.685871D+01
      6   0.148737D+00 -0.508871D+01  0.730662D+01  0.457793D+01 -0.522413D+01
                16            17            18            19            20 
      1   0.460436D+01 -0.932746D+01  0.132480D+02  0.102532D+02  0.545713D+01
      2   0.238732D+01  0.657149D+01 -0.187083D+02 -0.789991D+01 -0.689020D+01
      3  -0.699168D+01  0.275597D+01  0.546033D+01 -0.235330D+01  0.143307D+01
      4  -0.142793D+02  0.395674D+01 -0.410197D+01  0.819755D+01 -0.237300D+02
      5   0.358080D+02 -0.615976D+01 -0.100753D+02 -0.252995D+01 -0.167750D+01
      6  -0.200670D+01  0.705134D+01 -0.362259D+01 -0.646566D+00  0.206986D+01
                21            22            23            24            25 
      1  -0.201163D+01  0.511397D+01  0.107904D+02  0.574412D+01 -0.155539D+01
      2   0.277516D+01  0.107135D+01 -0.168055D+02 -0.933256D+01  0.162169D+01
      3  -0.763533D+00 -0.618532D+01  0.601510D+01  0.358844D+01 -0.663026D-01
      4  -0.381960D+01  0.186314D+02  0.108671D+02  0.621576D+00  0.122912D+01
      5  -0.647923D+01  0.545664D+00  0.100327D+01  0.346301D+01  0.226677D+01
      6  -0.736803D+01  0.360213D+01 -0.135544D+02  0.581792D+01 -0.743942D-01
                26            27            28            29            30 
      1   0.405245D+01 -0.150792D+02 -0.216014D+02  0.942039D+01  0.285904D+01
      2  -0.108600D+02  0.324628D+00  0.137295D+02 -0.534276D+01 -0.227647D+00
      3   0.680759D+01  0.147546D+02  0.787192D+01 -0.407762D+01 -0.263140D+01
      4   0.337033D+01  0.980877D+01 -0.132958D+02  0.119220D+02  0.362099D+00
      5   0.869557D+01  0.815803D+01  0.503402D+01 -0.166100D+01 -0.121380D+01
      6   0.139519D+02  0.622227D+01 -0.361569D+01  0.967472D-01 -0.282409D+01
                31            32            33            34            35 
      1  -0.120076D+01 -0.120012D+01 -0.426935D+00  0.907208D+01 -0.146440D+01
      2   0.634569D+01  0.791951D+01  0.174533D+01 -0.121295D+01 -0.568969D+00
      3  -0.514493D+01 -0.671938D+01 -0.131839D+01 -0.785914D+01  0.203337D+01
      4  -0.214853D+01  0.782308D+01  0.475005D+00 -0.460902D+01  0.108219D+01
      5  -0.301543D+01 -0.106304D+01 -0.520256D+00  0.460265D+01 -0.787771D+00
      6   0.468469D+01  0.229836D+01  0.219437D+01 -0.156691D+01  0.701117D+01
                36            37            38            39            40 
      1  -0.888715D+01 -0.150176D+02 -0.255248D+02 -0.476298D+01 -0.819428D+01
      2  -0.311823D+01  0.107039D+02  0.176264D+02  0.297820D+01 -0.838029D+00
      3   0.120054D+02  0.431367D+01  0.789843D+01  0.178478D+01  0.903231D+01
      4  -0.338917D+01 -0.397063D+01 -0.566644D+01  0.208126D+01  0.239535D+01
      5   0.740743D+00 -0.862014D+00  0.240125D+01 -0.133868D+01  0.523979D+01
      6  -0.883195D-01  0.670136D+01  0.388247D+01  0.323209D+01 -0.585521D+01
                41            42            43            44            45 
      1  -0.103997D+02  0.316313D+01 -0.318354D+00  0.595289D+01 -0.106818D+02
      2   0.108914D+02  0.285329D+00 -0.982131D+00 -0.444933D+01  0.113671D+01
      3  -0.491718D+00 -0.344846D+01  0.130048D+01 -0.150356D+01  0.954505D+01
      4  -0.518592D+01 -0.181016D+01  0.109699D+01  0.139492D+00 -0.174463D+01
      5  -0.136329D+01 -0.184921D+01  0.539954D+01 -0.315501D+01  0.128523D+00
      6   0.309573D+00  0.248447D+01  0.607879D+00  0.942143D+01 -0.144817D+01
                46            47            48            49            50 
      1   0.147593D+02  0.161034D+02 -0.166028D+01 -0.197135D+02  0.143340D+02
      2  -0.124074D+02 -0.106141D+02 -0.141799D+01  0.172711D+02 -0.211534D+02
      3  -0.235192D+01 -0.548928D+01  0.307826D+01  0.244240D+01  0.681942D+01
      4   0.572946D+01 -0.163864D+02 -0.551523D+01  0.135321D+02 -0.215871D+01
      5   0.369408D+01 -0.471202D+01 -0.561738D+01  0.118895D+01  0.502603D+01
      6  -0.675610D+01  0.195513D+01  0.127429D+01  0.410962D+01 -0.122737D+02
                51            52            53            54            55 
      1   0.375925D+01 -0.634673D+01 -0.116028D+01 -0.764017D+01  0.219482D+02
      2  -0.825665D+01  0.819991D+01 -0.748294D+01 -0.427883D+01 -0.107045D+02
      3   0.449739D+01 -0.185318D+01  0.864322D+01  0.119190D+02 -0.112437D+02
      4   0.527847D+01 -0.261773D+01  0.106557D+02 -0.140020D+02  0.134802D+02
      5  -0.112337D+02  0.864338D+01 -0.132545D+02 -0.747409D+01 -0.214427D+01
      6   0.700723D+01 -0.444094D+01  0.129827D+02  0.309788D+01  0.375971D+01
                56            57            58            59            60 
      1  -0.571843D+01  0.382908D+01 -0.492754D+01 -0.600347D+01  0.447715D+01
      2   0.325524D+01 -0.180765D+01 -0.483373D+00  0.508592D+01 -0.521824D+01
      3   0.246319D+01 -0.202143D+01  0.541092D+01  0.917548D+00  0.741086D+00
      4  -0.140858D+02  0.320591D+01 -0.269309D+02 -0.571937D+01  0.638840D+01
      5   0.382386D+01 -0.121963D+02  0.641861D+01  0.774106D+01  0.166011D+02
      6  -0.212437D+01  0.920297D+01  0.300141D+01 -0.467178D+01 -0.144155D+02
                61            62            63            64            65 
      1  -0.728471D+01  0.700558D+01  0.153559D+01 -0.361943D+02 -0.135016D+02
      2   0.562631D-01  0.949193D+00 -0.145888D+01  0.116077D+02  0.101250D+02
      3   0.722845D+01 -0.795477D+01 -0.767169D-01  0.245866D+02  0.337658D+01
      4   0.132304D+02 -0.178622D+01  0.255633D+02 -0.172395D+02  0.128562D+01
      5  -0.267539D+02  0.232138D+02  0.566622D+01 -0.112616D+02  0.106087D+00
      6   0.206792D+02 -0.175007D+02 -0.923912D+01 -0.395047D+01  0.764739D+00
                66            67            68            69            70 
      1  -0.119534D+02 -0.105141D+02  0.703044D+01  0.433859D-01 -0.224409D+02
      2   0.763903D+01  0.960122D+01  0.870955D+00 -0.644086D+01  0.947874D+01
      3   0.431441D+01  0.912924D+00 -0.790140D+01  0.639747D+01  0.129621D+02
      4  -0.316407D+01  0.461611D+01  0.143609D+02 -0.422168D+01 -0.804342D+01
      5   0.316993D+01  0.234040D+01 -0.675932D+01 -0.660108D+01 -0.111729D+01
      6   0.370356D+00 -0.232936D+01 -0.212617D+01 -0.395419D+01 -0.362157D+01
                71            72            73            74            75 
      1  -0.217608D+01  0.665927D+01  0.397306D+01  0.116588D+02  0.864159D+01
      2  -0.993616D+01  0.129626D+02  0.392949D+01 -0.465444D+01 -0.746705D+01
      3   0.121122D+02 -0.196219D+02 -0.790255D+01 -0.700435D+01 -0.117454D+01
      4   0.223447D+01 -0.123127D+02  0.258915D+01  0.233126D+00 -0.327799D+01
      5  -0.113401D+02  0.260208D+02 -0.721300D-01 -0.515656D+01 -0.763723D+01
      6  -0.647580D+00  0.178250D+02 -0.457570D+01 -0.906567D+01 -0.814486D+01
                76            77            78            79            80 
      1   0.224242D+02  0.289374D+02 -0.792748D+01  0.151726D+02 -0.679656D+01
      2  -0.197766D+02 -0.427021D+02  0.143701D+02 -0.654580D+01  0.209061D+02
      3  -0.264757D+01  0.137647D+02 -0.644262D+01 -0.862682D+01 -0.141095D+02
      4  -0.286649D+01 -0.114184D+02  0.149685D+01 -0.695210D+01 -0.213866D+01
      5  -0.765774D+01  0.247607D+01 -0.193072D+01 -0.128487D+02 -0.106312D+02
      6  -0.314477D+01  0.127112D+02 -0.606451D+01 -0.180270D+02 -0.197517D+02
                81            82            83            84            85 
      1   0.126354D+02  0.399412D+02  0.213667D+02  0.230301D+01  0.164386D+02
      2  -0.794996D+01 -0.130867D+02 -0.376424D+01 -0.893625D+00  0.201661D+01
      3  -0.468547D+01 -0.268546D+02 -0.176025D+02 -0.140938D+01 -0.184552D+02
      4  -0.119365D+02  0.437365D+02  0.330738D+02  0.242120D+01  0.376972D+02
      5  -0.157467D+02  0.507596D+01  0.271739D+01  0.642358D+01  0.566373D+01
      6  -0.209066D+02  0.595731D+00  0.545808D+00  0.284887D+01  0.265200D+01
                86            87            88            89            90 
      1   0.110947D+02  0.156387D+01 -0.879796D-01  0.274219D+00  0.450942D+00
      2   0.780220D+01 -0.474114D+00  0.152652D+01  0.148254D+01  0.510174D+00
      3  -0.188969D+02 -0.108976D+01 -0.143854D+01 -0.175675D+01 -0.961117D+00
      4   0.388486D+02  0.464397D+01  0.438101D+01  0.482929D+01  0.208654D+01
      5   0.536531D+01  0.451949D+01  0.166687D+01  0.975107D+00  0.518073D+00
      6   0.256034D+01  0.432697D+01  0.107553D+01  0.134767D+01  0.127129D+01
                91            92            93            94            95 
      1   0.942137D+02 -0.169203D+02 -0.101470D+02 -0.152308D+02  0.112776D+02
      2  -0.531292D+02  0.857421D+01  0.685922D+01  0.669759D+01 -0.473030D+01
      3  -0.410845D+02  0.834604D+01  0.328777D+01  0.853323D+01 -0.654731D+01
      4  -0.268476D+02  0.129110D+02  0.305567D+01  0.200979D+02 -0.939903D+01
      5  -0.154424D+02  0.291920D+01  0.103576D+02  0.572989D+01 -0.306466D+01
      6   0.132767D+00 -0.662114D+00 -0.120764D+01 -0.176891D+01  0.661628D+00
                96            97            98            99           100 
      1   0.312726D+01 -0.119331D+02  0.384930D+01  0.301856D+01 -0.397800D+01
      2  -0.230541D+01  0.650788D+01 -0.211101D+01 -0.162575D+01  0.561352D+01
      3  -0.821858D+00  0.542527D+01 -0.173829D+01 -0.139282D+01 -0.163552D+01
      4  -0.290513D+01  0.648617D+01 -0.317962D+01 -0.177680D+01 -0.210924D+00
      5  -0.266766D+01  0.340944D+01 -0.788711D+00 -0.212286D+01  0.985691D-01
      6   0.223966D+01 -0.573914D+00  0.901730D+00  0.811605D+00  0.216164D+01
               101           102           103           104           105 
      1   0.720165D+01  0.254657D+01  0.399809D+01 -0.402215D+02 -0.957768D+01
      2  -0.744432D+01 -0.183283D+01 -0.393511D+01  0.547422D+02  0.982365D+01
      3   0.242673D+00 -0.713742D+00 -0.629821D-01 -0.145207D+02 -0.245962D+00
      4   0.757715D+01  0.123448D+01  0.547643D+01  0.115953D+02  0.305080D+01
      5   0.976910D+00  0.168258D+01  0.983144D+00  0.387891D+01  0.163966D+01
      6  -0.324723D+01 -0.156669D+01 -0.928433D+00  0.169274D+02  0.101793D+02
               106           107           108           109           110 
      1   0.115752D+01 -0.928591D+01 -0.369621D+01  0.189007D+01 -0.259610D+01
      2  -0.110945D+01  0.114466D+02  0.419231D+01  0.353679D+01 -0.357415D+01
      3  -0.480790D-01 -0.216064D+01 -0.496101D+00 -0.542686D+01  0.617025D+01
      4   0.123465D+01  0.189832D+01 -0.752064D+00 -0.126752D+02  0.172074D+02
      5   0.730062D+00  0.314649D+00 -0.357577D+00 -0.287104D+01  0.370527D+01
      6  -0.346489D+00  0.623315D+01  0.369432D+01  0.262023D+01 -0.304976D+01
               111           112           113           114           115 
      1  -0.313699D+00  0.275720D+01 -0.242877D+02 -0.519153D+01  0.150838D+00
      2  -0.368935D+00 -0.102854D+02  0.437158D+02  0.653309D+01 -0.186220D+01
      3   0.682635D+00  0.752816D+01 -0.194281D+02 -0.134156D+01  0.171136D+01
      4   0.392221D+01  0.192359D+02 -0.430297D+02 -0.903820D+01  0.505838D+01
      5   0.350288D+01  0.395963D+01 -0.814533D+01 -0.489613D+01  0.149969D+01
      6  -0.209502D+01 -0.450988D+01  0.140267D+02  0.936509D+01 -0.173227D+01
               116           117           118           119           120 
      1  -0.431171D+01 -0.273587D+01  0.488512D+01 -0.206308D+01 -0.325690D+01
      2   0.753241D+01  0.358048D+01 -0.403570D+01  0.116232D+01  0.258125D+01
      3  -0.322070D+01 -0.844609D+00 -0.849423D+00  0.900765D+00  0.675651D+00
      4  -0.103953D+02 -0.258715D+01 -0.899481D+01  0.100670D+02  0.479511D+01
      5  -0.233740D+01 -0.151647D+01 -0.854994D+01  0.427256D+01  0.120816D+02
      6   0.538318D+01  0.370406D+01  0.571100D+01 -0.279303D+01 -0.450361D+01
               121           122           123           124           125 
      1   0.988644D+00 -0.625531D+01 -0.560080D+01 -0.424329D+00 -0.572466D+01
      2  -0.115469D+01  0.625995D+01  0.342647D+01  0.374539D+01  0.264996D+00
      3   0.166045D+00 -0.464082D-02  0.217432D+01 -0.332106D+01  0.545966D+01
      4   0.150184D+02 -0.149583D+02 -0.989213D+01  0.848295D+01 -0.108088D+02
      5   0.638528D+01 -0.987837D+01 -0.131787D+02  0.172358D+02 -0.131878D+02
      6  -0.628727D+01  0.132206D+02  0.154801D+02 -0.104166D+02  0.150109D+02
               126           127           128           129           130 
      1  -0.986340D+01 -0.586652D+02  0.241147D+02 -0.550476D+01  0.135019D+02
      2  -0.582337D+01  0.227449D+02 -0.201008D+02  0.116021D+01 -0.105335D+02
      3   0.156868D+02  0.359203D+02 -0.401397D+01  0.434455D+01 -0.296847D+01
      4  -0.136245D+02  0.312092D+02  0.610970D+01 -0.519267D+01  0.134889D+02
      5  -0.233590D+02 -0.695449D+01 -0.209638D+01  0.116816D+02 -0.587004D+01
      6   0.201717D+02 -0.220255D+01  0.827014D+01 -0.630303D+01  0.710611D+01
               131           132           133           134           135 
      1   0.238540D+02 -0.101834D+01  0.418400D+01 -0.260526D+01  0.797000D+01
      2  -0.257875D+02  0.167187D+02 -0.365751D+01  0.123568D+02  0.811328D+01
      3   0.193345D+01 -0.157004D+02 -0.526487D+00 -0.975150D+01 -0.160833D+02
      4   0.556680D+01 -0.486141D+01 -0.176640D+02  0.247186D+01 -0.236685D+02
      5  -0.697187D+00 -0.159040D+02  0.205750D+02 -0.200218D+02 -0.291388D+01
      6   0.924735D+01  0.584089D+01 -0.141373D+02  0.882208D+01 -0.489686D+01
               136           137           138           139           140 
      1   0.488409D+01  0.359168D+01 -0.416688D+01  0.151752D+01 -0.526247D+01
      2  -0.487814D+01 -0.235272D+01  0.242236D+01 -0.134702D+01  0.131792D+01
      3  -0.595511D-02 -0.123896D+01  0.174452D+01 -0.170501D+00  0.394456D+01
      4   0.410490D+01  0.152637D+01 -0.313539D+01  0.459441D+01  0.367934D+01
      5  -0.531758D+01 -0.268381D+01  0.675809D+01 -0.347137D+01 -0.522475D+01
      6  -0.281315D+01 -0.521708D+00 -0.188588D+00 -0.233566D+01 -0.653449D+01
               141           142           143           144           145 
      1   0.362161D+01 -0.341201D+01  0.454170D+01 -0.138734D+02  0.681071D+02
      2  -0.210893D+00  0.831578D+01  0.253646D+01 -0.205399D+02 -0.329036D+02
      3  -0.341072D+01 -0.490376D+01 -0.707816D+01  0.344133D+02 -0.352035D+02
      4  -0.618532D+01 -0.628999D+01 -0.969437D+01  0.128223D+02  0.271279D+02
      5   0.685186D+01  0.160647D+02  0.116570D+02 -0.389267D+02  0.193213D+01
      6   0.114524D+02  0.652712D+01  0.105679D+02 -0.229527D+02  0.821148D+00
               146           147           148           149           150 
      1   0.104916D+02  0.621115D+01  0.555506D+01  0.582395D+01  0.118357D+00
      2  -0.328427D+01 -0.209094D+01 -0.146329D+00 -0.458030D+00  0.134688D+01
      3  -0.720736D+01 -0.412021D+01 -0.540873D+01 -0.536592D+01 -0.146524D+01
      4   0.147595D+02  0.138468D+01  0.130452D+02  0.538839D+01  0.190923D+01
      5  -0.536930D+00  0.919239D+01 -0.234833D+00  0.157304D+01  0.160541D+01
      6  -0.358417D+00  0.254003D+01 -0.231313D+00  0.903263D+00  0.214271D+01
               151           152           153           154           155 
      1   0.162217D+02  0.238428D+01  0.598251D+01 -0.343690D+00  0.515866D+01
      2  -0.779113D+01  0.106345D+01 -0.530416D+01  0.323859D+01 -0.592270D+01
      3  -0.843059D+01 -0.344774D+01 -0.678352D+00 -0.289490D+01  0.764040D+00
      4   0.746839D+01  0.469697D+01  0.458359D+01  0.156338D+01  0.839612D+01
      5   0.107389D+02  0.321078D+01  0.217625D+01 -0.485951D+00 -0.665392D+00
      6   0.298173D+01  0.196909D+01 -0.294550D+00 -0.263522D+01  0.136409D+01
               156           157           158           159           160 
      1  -0.218715D+01 -0.525981D+01 -0.420207D+02  0.768403D+01 -0.105836D+01
      2   0.158960D+01  0.917841D+01  0.680464D+02 -0.121822D+02 -0.177739D+01
      3   0.597558D+00 -0.391861D+01 -0.260257D+02  0.449814D+01  0.283575D+01
      4  -0.173722D+01  0.100867D+02  0.191249D+02 -0.316951D+01 -0.347057D+01
      5   0.304145D+01 -0.149447D+01 -0.295287D+01  0.278465D+01  0.397183D+01
      6   0.168968D+00 -0.269454D+01 -0.164034D+02  0.103254D+02  0.499166D+01
               161           162           163           164           165 
      1   0.139121D+02 -0.894873D+01  0.183775D+01 -0.113103D+01 -0.163938D+00
      2  -0.212251D+02  0.955344D+01 -0.361776D+01  0.119530D+01  0.343189D+00
      3   0.731296D+01 -0.604711D+00  0.178001D+01 -0.642730D-01 -0.179251D+00
      4  -0.607965D+01  0.437961D+01  0.805264D+01  0.747338D+01  0.665693D+01
      5   0.442898D+01 -0.244811D+00  0.746854D+01  0.528068D+01  0.108292D+02
      6   0.163019D+02 -0.618075D+01  0.718714D+01  0.480259D+01  0.735460D+01
               166           167           168           169           170 
      1  -0.492096D+01 -0.119396D+02 -0.515806D+01 -0.523923D+01 -0.120503D+02
      2   0.636716D+01  0.138886D+02  0.416783D+01  0.315919D+00  0.674905D+01
      3  -0.144619D+01 -0.194898D+01  0.990231D+00  0.492331D+01  0.530125D+01
      4   0.557226D+01  0.858871D+01  0.515194D+01  0.131399D+02  0.112859D+02
      5   0.287270D+01  0.514759D+01  0.438017D+01  0.146463D+02  0.128303D+02
      6   0.461970D+01  0.816526D+01  0.975635D+01  0.150565D+02  0.213805D+02
               171           172           173           174           175 
      1  -0.182411D+02  0.396523D+01 -0.125819D+01  0.556564D+01  0.283445D+01
      2   0.166311D+01 -0.396488D+01  0.190558D+01 -0.188616D+00 -0.220088D+01
      3   0.165780D+02 -0.355862D-03 -0.647393D+00 -0.537702D+01 -0.633567D+00
      4   0.124102D+02 -0.751444D+00 -0.141001D+01 -0.683835D+00 -0.156785D+01
      5   0.216066D+02  0.253561D+01  0.113501D+01  0.342073D+00  0.435409D+01
      6   0.314001D+02  0.355737D+00 -0.158372D+01  0.215479D+01 -0.600912D+00
               176           177           178           179           180 
      1  -0.484839D+01 -0.299552D+01  0.498886D+01 -0.158413D+01 -0.134911D+02
      2  -0.940681D-01 -0.928783D+01 -0.326055D+01 -0.736031D+01 -0.179251D+02
      3   0.494245D+01  0.122833D+02 -0.172831D+01  0.894444D+01  0.314162D+02
      4   0.572549D+01  0.577927D+01 -0.209995D+01  0.759323D+01  0.759148D+01
      5   0.406117D+01  0.119150D+02  0.650993D+01  0.476693D+01  0.235796D+02
      6   0.162562D+01  0.609008D+00 -0.420528D+00  0.355447D+01 -0.545751D+01
               181           182           183           184           185 
      1   0.806874D+02 -0.146489D+02  0.217434D+01 -0.531104D+01  0.419594D+01
      2  -0.368254D+02  0.315873D+01 -0.338785D+01 -0.923587D+00  0.188359D+01
      3  -0.438620D+02  0.114901D+02  0.121351D+01  0.623463D+01 -0.607953D+01
      4  -0.452912D+02  0.206974D+02 -0.321243D+01  0.150512D+02 -0.978976D+01
      5   0.196661D+02 -0.502859D+01  0.119906D+02 -0.107387D+01  0.173880D+01
      6  -0.397419D+01  0.313249D+01 -0.501429D+01  0.125229D+01 -0.200864D+01
               186           187           188           189           190 
      1   0.222852D+00 -0.666354D+01  0.116252D+01  0.531561D+01  0.371348D-02
      2  -0.125254D+01  0.100469D+01 -0.212742D+00 -0.468826D+01  0.359839D+01
      3   0.102969D+01  0.565886D+01 -0.949776D+00 -0.627348D+00 -0.360210D+01
      4   0.103305D+01  0.521240D+01 -0.258797D+01 -0.187227D+01 -0.161053D+01
      5  -0.768195D-01  0.913674D+01 -0.767644D+00  0.801659D+00 -0.722721D+00
      6   0.148216D+01 -0.328913D+01  0.131779D+01  0.388000D+00 -0.140037D+01
               191           192           193           194           195 
      1  -0.126820D+02  0.430895D+01 -0.892226D+01 -0.310659D+02  0.808507D+01
      2   0.139584D+02 -0.258792D+01  0.588269D+01  0.446592D+02 -0.822108D+01
      3  -0.127639D+01 -0.172103D+01  0.303957D+01 -0.135933D+02  0.136011D+00
      4  -0.191536D+01  0.139202D+01  0.596366D+01 -0.255190D+02  0.676482D+01
      5  -0.213572D+00 -0.209942D+01 -0.336890D+01  0.445537D+01 -0.406380D+01
      6  -0.626505D+01  0.438757D+01 -0.997144D+00 -0.192614D+02  0.110963D+02
               196           197           198 
      1   0.809008D+00  0.590058D+01 -0.721819D+01
      2  -0.508750D+00 -0.471843D+01  0.368337D+01
      3  -0.300257D+00 -0.118216D+01  0.353482D+01
      4   0.982203D+00  0.318673D+01 -0.141600D+01
      5   0.851737D+00 -0.207159D+01  0.296378D+01
      6   0.176445D+01  0.964429D+01 -0.523173D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:51:11 2021, MaxMem= 10737418240 cpu:           20272.4 elap:            1268.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18918 -10.18486 -10.18433 -10.18398 -10.18388
 Alpha  occ. eigenvalues --  -10.18355 -10.18337 -10.18205 -10.17990 -10.17498
 Alpha  occ. eigenvalues --   -0.87665  -0.81793  -0.76586  -0.72955  -0.71459
 Alpha  occ. eigenvalues --   -0.65503  -0.61141  -0.57765  -0.56439  -0.50338
 Alpha  occ. eigenvalues --   -0.47869  -0.46020  -0.45119  -0.42853  -0.41643
 Alpha  occ. eigenvalues --   -0.40309  -0.39475  -0.38529  -0.36604  -0.35219
 Alpha  occ. eigenvalues --   -0.33908  -0.32923  -0.32749  -0.32305  -0.25092
 Alpha  occ. eigenvalues --   -0.23875
 Alpha virt. eigenvalues --   -0.01680  -0.01189  -0.00456   0.00246   0.00460
 Alpha virt. eigenvalues --    0.01205   0.02087   0.02157   0.03240   0.03399
 Alpha virt. eigenvalues --    0.04427   0.04758   0.05130   0.06370   0.06957
 Alpha virt. eigenvalues --    0.07270   0.07333   0.08363   0.08628   0.08836
 Alpha virt. eigenvalues --    0.09596   0.09743   0.09923   0.10097   0.10411
 Alpha virt. eigenvalues --    0.10874   0.11471   0.11729   0.11950   0.12294
 Alpha virt. eigenvalues --    0.12781   0.13058   0.13473   0.13868   0.14162
 Alpha virt. eigenvalues --    0.15057   0.15126   0.15653   0.15972   0.16022
 Alpha virt. eigenvalues --    0.16888   0.17452   0.18100   0.18540   0.18624
 Alpha virt. eigenvalues --    0.19159   0.20334   0.20486   0.20848   0.21809
 Alpha virt. eigenvalues --    0.22764   0.22879   0.23392   0.23967   0.24337
 Alpha virt. eigenvalues --    0.24772   0.24984   0.25465   0.25938   0.26960
 Alpha virt. eigenvalues --    0.27219   0.27437   0.27832   0.28129   0.29312
 Alpha virt. eigenvalues --    0.29442   0.30212   0.31073   0.31295   0.31867
 Alpha virt. eigenvalues --    0.32208   0.32527   0.33661   0.34476   0.34985
 Alpha virt. eigenvalues --    0.35119   0.35630   0.36620   0.37228   0.37724
 Alpha virt. eigenvalues --    0.38532   0.38967   0.39771   0.40096   0.40629
 Alpha virt. eigenvalues --    0.40818   0.41259   0.42677   0.43077   0.43656
 Alpha virt. eigenvalues --    0.44778   0.45506   0.45908   0.46108   0.46886
 Alpha virt. eigenvalues --    0.47045   0.47802   0.48174   0.49497   0.50028
 Alpha virt. eigenvalues --    0.50949   0.51559   0.52120   0.52817   0.53143
 Alpha virt. eigenvalues --    0.53739   0.54225   0.55060   0.55515   0.55859
 Alpha virt. eigenvalues --    0.56460   0.56701   0.57713   0.58037   0.58626
 Alpha virt. eigenvalues --    0.59233   0.59840   0.60174   0.61099   0.61618
 Alpha virt. eigenvalues --    0.62641   0.63607   0.64220   0.64376   0.64956
 Alpha virt. eigenvalues --    0.65541   0.66024   0.66651   0.67252   0.67470
 Alpha virt. eigenvalues --    0.67696   0.69315   0.69555   0.70675   0.71107
 Alpha virt. eigenvalues --    0.72146   0.72576   0.73487   0.73590   0.74777
 Alpha virt. eigenvalues --    0.75610   0.76675   0.77328   0.77764   0.78474
 Alpha virt. eigenvalues --    0.78571   0.78799   0.79931   0.80648   0.81296
 Alpha virt. eigenvalues --    0.82037   0.83013   0.84556   0.85117   0.86061
 Alpha virt. eigenvalues --    0.87857   0.88969   0.90404   0.91146   0.92126
 Alpha virt. eigenvalues --    0.94392   0.95176   0.95968   0.97300   0.98656
 Alpha virt. eigenvalues --    0.99459   1.01067   1.01532   1.01856   1.03755
 Alpha virt. eigenvalues --    1.04147   1.06140   1.06642   1.08834   1.10796
 Alpha virt. eigenvalues --    1.13910   1.15555   1.17016   1.18796   1.19310
 Alpha virt. eigenvalues --    1.23237   1.24423   1.28308   1.31277   1.31825
 Alpha virt. eigenvalues --    1.32652   1.34420   1.35591   1.36068   1.36882
 Alpha virt. eigenvalues --    1.37465   1.38186   1.39911   1.40693   1.42485
 Alpha virt. eigenvalues --    1.42746   1.44241   1.46988   1.48151   1.49864
 Alpha virt. eigenvalues --    1.50058   1.50776   1.52060   1.55010   1.56110
 Alpha virt. eigenvalues --    1.56423   1.57694   1.58548   1.59365   1.59912
 Alpha virt. eigenvalues --    1.62437   1.63370   1.64388   1.66034   1.68212
 Alpha virt. eigenvalues --    1.69134   1.69553   1.70411   1.70841   1.71912
 Alpha virt. eigenvalues --    1.73447   1.74755   1.76629   1.77398   1.77888
 Alpha virt. eigenvalues --    1.79900   1.81610   1.81985   1.83846   1.84545
 Alpha virt. eigenvalues --    1.85246   1.85963   1.87181   1.88232   1.89720
 Alpha virt. eigenvalues --    1.90800   1.92019   1.94199   1.97021   1.97563
 Alpha virt. eigenvalues --    1.98527   1.99322   2.00188   2.01977   2.02137
 Alpha virt. eigenvalues --    2.02192   2.05078   2.06166   2.08488   2.09805
 Alpha virt. eigenvalues --    2.10110   2.12091   2.13976   2.14391   2.16996
 Alpha virt. eigenvalues --    2.18337   2.19671   2.21565   2.22245   2.23766
 Alpha virt. eigenvalues --    2.24428   2.25785   2.27275   2.31117   2.32799
 Alpha virt. eigenvalues --    2.33644   2.36606   2.38978   2.39628   2.42214
 Alpha virt. eigenvalues --    2.42903   2.46664   2.49416   2.52093   2.53360
 Alpha virt. eigenvalues --    2.54366   2.55041   2.57254   2.59325   2.62166
 Alpha virt. eigenvalues --    2.63073   2.66349   2.70444   2.73768   2.74756
 Alpha virt. eigenvalues --    2.77875   2.80225   2.82131   2.85147   2.87724
 Alpha virt. eigenvalues --    2.93107   2.96715   3.01505   3.04333   3.06237
 Alpha virt. eigenvalues --    3.10812   3.39487   3.52610   3.56982   3.71044
 Alpha virt. eigenvalues --    3.89325   4.68227
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.078839  -7.043616  -8.923147   5.305124  -5.710993   6.706685
     2  C   -7.043616  15.543587   7.054653  -6.289971   4.616937  -7.850366
     3  C   -8.923147   7.054653  29.746781 -15.684293   7.121379  -9.942115
     4  C    5.305124  -6.289971 -15.684293  30.733955 -14.587760   7.964014
     5  C   -5.710993   4.616937   7.121379 -14.587760  27.769061 -12.614191
     6  C    6.706685  -7.850366  -9.942115   7.964014 -12.614191  26.290039
     7  C    0.105225  -0.076750  -2.834777   0.799131  -4.011763   0.215789
     8  C   -0.078616  -0.089592  -0.423916  -0.487894  -0.232006  -0.122849
     9  C   -0.325880   0.543871   1.115040  -4.422099   2.417153  -4.195206
    10  H   -2.304696   1.085207   1.021347  -0.209544   0.039776  -0.330763
    11  H    1.114097  -2.183854  -0.289898   0.038353  -0.230577   0.898192
    12  H    1.055793  -0.421708  -3.410404   1.931711  -0.750473   0.382129
    13  H   -0.400058   0.804513   0.287178  -0.399237   1.550684  -2.842769
    14  H   -0.104280   0.069825   0.423834   0.100484   0.408579  -0.119948
    15  C    0.140655  -0.071342  -0.317844  -0.049425  -0.014527   0.174011
    16  H   -0.002795  -0.014104   0.183637  -0.101655  -0.088384  -0.046953
    17  H    0.017620  -0.006715  -0.138576   0.432546   0.004190   0.061643
    18  H    0.068408  -0.148368  -0.144444   0.493448   0.119346   0.263161
    19  H   -0.044565   0.034053   0.147480   0.059002   0.177179  -0.041972
    20  H   -0.002348   0.004318   0.124020  -0.396558   0.201796   0.022576
    21  H   -0.005896  -0.002843  -0.095381   0.384489  -0.114448   0.017631
    22  H    0.047989   0.017940   0.123565  -0.219885   0.006370  -0.052540
               7          8          9         10         11         12
     1  C    0.105225  -0.078616  -0.325880  -2.304696   1.114097   1.055793
     2  C   -0.076750  -0.089592   0.543871   1.085207  -2.183854  -0.421708
     3  C   -2.834777  -0.423916   1.115040   1.021347  -0.289898  -3.410404
     4  C    0.799131  -0.487894  -4.422099  -0.209544   0.038353   1.931711
     5  C   -4.011763  -0.232006   2.417153   0.039776  -0.230577  -0.750473
     6  C    0.215789  -0.122849  -4.195206  -0.330763   0.898192   0.382129
     7  C   14.520065  -0.282088  -1.260536   0.077074  -0.050161   0.203784
     8  C   -0.282088   7.096221   0.213634   0.005283   0.010562   0.008017
     9  C   -1.260536   0.213634  12.172460  -0.036366   0.055095  -0.057288
    10  H    0.077074   0.005283  -0.036366   2.867353  -0.176785  -0.198078
    11  H   -0.050161   0.010562   0.055095  -0.176785   2.853516  -0.034154
    12  H    0.203784   0.008017  -0.057288  -0.198078  -0.034154   3.145342
    13  H    0.026562  -0.023730   0.216217  -0.029643  -0.198122   0.022668
    14  H   -1.936943   0.232490   0.102905  -0.003739   0.002100  -0.018230
    15  C    0.360754  -0.221954  -0.170434   0.001054   0.000397   0.121905
    16  H    0.595109  -0.579727  -0.153562  -0.000915  -0.000075   0.004733
    17  H   -0.463724  -0.622952   0.390773   0.000932   0.000730  -0.005379
    18  H    0.046800   0.178848  -1.060518   0.002429  -0.002216  -0.009075
    19  H    0.074416  -0.118473  -0.194940  -0.001035  -0.000986  -0.001656
    20  H   -0.034360  -0.087023  -0.163839  -0.000892   0.000640   0.013325
    21  H   -0.288791   0.142585   0.052554   0.000384  -0.000175   0.005977
    22  H    0.309826  -0.106192   0.026867   0.000640   0.000784  -0.048797
              13         14         15         16         17         18
     1  C   -0.400058  -0.104280   0.140655  -0.002795   0.017620   0.068408
     2  C    0.804513   0.069825  -0.071342  -0.014104  -0.006715  -0.148368
     3  C    0.287178   0.423834  -0.317844   0.183637  -0.138576  -0.144444
     4  C   -0.399237   0.100484  -0.049425  -0.101655   0.432546   0.493448
     5  C    1.550684   0.408579  -0.014527  -0.088384   0.004190   0.119346
     6  C   -2.842769  -0.119948   0.174011  -0.046953   0.061643   0.263161
     7  C    0.026562  -1.936943   0.360754   0.595109  -0.463724   0.046800
     8  C   -0.023730   0.232490  -0.221954  -0.579727  -0.622952   0.178848
     9  C    0.216217   0.102905  -0.170434  -0.153562   0.390773  -1.060518
    10  H   -0.029643  -0.003739   0.001054  -0.000915   0.000932   0.002429
    11  H   -0.198122   0.002100   0.000397  -0.000075   0.000730  -0.002216
    12  H    0.022668  -0.018230   0.121905   0.004733  -0.005379  -0.009075
    13  H    2.876145  -0.005457   0.002941   0.000839   0.001653  -0.019839
    14  H   -0.005457   2.632361  -0.003418  -0.247623   0.066788   0.031450
    15  C    0.002941  -0.003418   4.522097   0.094293  -0.087158   0.002358
    16  H    0.000839  -0.247623   0.094293   2.595962  -0.661773  -0.261475
    17  H    0.001653   0.066788  -0.087158  -0.661773   2.829338   0.088218
    18  H   -0.019839   0.031450   0.002358  -0.261475   0.088218   2.219977
    19  H    0.009668  -0.022127   0.015227   0.178541  -0.320313  -0.509735
    20  H   -0.001524   0.117282   0.310008  -0.002904  -0.041872   0.008217
    21  H    0.000749  -0.061971   0.039977   0.053315  -0.066640  -0.003042
    22  H   -0.001196  -0.046226   0.039147  -0.013206   0.030301   0.001335
              19         20         21         22
     1  C   -0.044565  -0.002348  -0.005896   0.047989
     2  C    0.034053   0.004318  -0.002843   0.017940
     3  C    0.147480   0.124020  -0.095381   0.123565
     4  C    0.059002  -0.396558   0.384489  -0.219885
     5  C    0.177179   0.201796  -0.114448   0.006370
     6  C   -0.041972   0.022576   0.017631  -0.052540
     7  C    0.074416  -0.034360  -0.288791   0.309826
     8  C   -0.118473  -0.087023   0.142585  -0.106192
     9  C   -0.194940  -0.163839   0.052554   0.026867
    10  H   -0.001035  -0.000892   0.000384   0.000640
    11  H   -0.000986   0.000640  -0.000175   0.000784
    12  H   -0.001656   0.013325   0.005977  -0.048797
    13  H    0.009668  -0.001524   0.000749  -0.001196
    14  H   -0.022127   0.117282  -0.061971  -0.046226
    15  C    0.015227   0.310008   0.039977   0.039147
    16  H    0.178541  -0.002904   0.053315  -0.013206
    17  H   -0.320313  -0.041872  -0.066640   0.030301
    18  H   -0.509735   0.008217  -0.003042   0.001335
    19  H    1.798229  -0.022506   0.019744  -0.001630
    20  H   -0.022506   2.059065  -0.413391  -0.445095
    21  H    0.019744  -0.413391   2.099417  -0.416978
    22  H   -0.001630  -0.445095  -0.416978   2.077288
 Mulliken charges:
               1
     1  C    0.306456
     2  C    0.424323
     3  C    0.855881
     4  C    0.606066
     5  C   -0.077327
     6  C    1.163802
     7  C   -0.094643
     8  C    1.589373
     9  C    0.734098
    10  H   -0.809023
    11  H   -0.807465
    12  H   -0.940143
    13  H   -0.878243
    14  H   -0.618133
    15  C    1.111275
    16  H   -0.531276
    17  H   -0.509631
    18  H   -0.365285
    19  H   -0.233601
    20  H   -0.248933
    21  H   -0.347264
    22  H   -0.330306
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.502567
     2  C   -0.383142
     3  C   -0.084262
     4  C    0.606066
     5  C   -0.077327
     6  C    0.285559
     7  C   -0.712776
     8  C    0.548465
     9  C    0.135212
    15  C    0.184771
 Electronic spatial extent (au):  <R**2>=           1395.1127
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6348    Y=              0.1254    Z=             -0.0304  Tot=              0.6478
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.9384   YY=            -58.3044   ZZ=            -63.8154
   XY=              0.1074   XZ=             -0.6749   YZ=              1.3178
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.4143   YY=              2.0483   ZZ=             -3.4627
   XY=              0.1074   XZ=             -0.6749   YZ=              1.3178
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -6.9235  YYY=             -0.3838  ZZZ=             -0.7319  XYY=             -3.2362
  XXY=             -0.3525  XXZ=              1.4715  XZZ=              6.6048  YZZ=              1.6589
  YYZ=             -1.5658  XYZ=             -1.1678
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1169.0728 YYYY=           -573.6334 ZZZZ=           -175.7535 XXXY=              1.8404
 XXXZ=             -7.2983 YYYX=              1.0666 YYYZ=              5.8984 ZZZX=             -2.3577
 ZZZY=              0.6679 XXYY=           -295.8426 XXZZ=           -246.8477 YYZZ=           -131.3515
 XXYZ=              7.9707 YYXZ=             -2.4435 ZZXY=              0.7648
 N-N= 5.059460084488D+02 E-N=-1.911276530761D+03  KE= 3.860498981277D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:51:12 2021, MaxMem= 10737418240 cpu:               6.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.28257933D-01 4.59182780D-02-1.27765492D-02
 Polarizability= 1.37576691D+02 1.42875506D+00 1.17519961D+02
                -2.29571087D+00 5.20228097D+00 7.75956099D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1152    1.1162        0.8346    0.8338
 2     -1.1152   -1.1162       -2.6519   -2.6524      -11.6537  -11.6570
 3     -0.8346   -0.8338       32.5803   32.5840        2.6602    2.6524
 4      2.6519    2.6524       -0.0000    0.0000       -0.8368   -0.8338
 5    -20.9266  -20.9270        0.8368    0.8338        1.1181    1.1162
 6     -2.6602   -2.6524       -1.1181   -1.1162       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.3487   -3.3487        2.5014    2.5014
 2      7.9572    7.9572        0.0000    0.0000        2.5014    2.5014
 3      7.9572    7.9572       -3.3487   -3.3487        0.0000    0.0000
 4     -3.3487   -3.3487       -7.9572   -7.9572      -34.9709  -34.9709
 5     -2.5014   -2.5014       97.7519   97.7519        7.9572    7.9572
 6    -62.7810  -62.7810        2.5014    2.5014        3.3487    3.3487
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0023    0.0000       -4.5867   -4.4650       -3.3260   -3.3352
 2      4.4278    4.4650       10.4773   10.6096       46.8732   46.6279
 3      3.4873    3.3352     -130.2561 -130.3358      -10.6795  -10.6096
 4    -10.5709  -10.6096       -0.0128    0.0000        3.4697    3.3352
 5     83.7657   83.7079       -3.4145   -3.3352       -4.3128   -4.4650
 6     10.7660   10.6096        4.7096    4.4650       -0.0932    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1370    0.0000        4.0468    4.0997       -8.0823   -8.1509
 2     -4.0546   -4.0997       48.5962   48.4760       36.6624   36.7335
 3      8.2130    8.1509       18.0920   18.1431      -48.3438  -48.4760
 4    -48.5008  -48.4760        0.0803    0.0000        7.9223    8.1509
 5    -55.1950  -54.8766       -8.9798   -8.1509        4.3702    4.0997
 6     48.7098   48.4760       -4.0149   -4.0997        0.5276    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.4953   -4.3465       20.2321   20.1955       15.2443   15.1742
 2    -74.0930  -73.8729       20.9956   20.9724       15.3531   15.1742
 3    -74.0850  -73.8729       20.3342   20.1955       13.6666   13.7247
 4     -0.8548   -0.7770       69.5997   69.5264       35.1673   35.2582
 5     -1.4021   -1.4496       36.6523   36.7726      -69.1698  -69.5264
 6    -72.0841  -72.0308        0.8670    1.4496        1.0889    0.7770
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0005    0.0006    2.4026    5.2078    8.5405
 Low frequencies ---  106.0399  132.0549  212.3502
 Diagonal vibrational polarizability:
        1.0892232       1.0718862       6.1129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.0370               132.0531               212.3501
 Red. masses --      2.7203                 2.8873                 2.2959
 Frc consts  --      0.0180                 0.0297                 0.0610
 IR Inten    --      0.0022                 0.5622                 1.6550
 RamAct Fr= 1--      2.9114                 3.7320                 1.2072
  Dep-P Fr= 1--      0.7433                 0.7322                 0.5940
  Dep-U Fr= 1--      0.8528                 0.8454                 0.7453
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0035
 Beta2  Fr= 1--      0.4138                 0.5259                 0.1500
 AlphaG Fr= 1--      0.0011                 0.0009                 0.0050
 Gamma2 Fr= 1--      1.5048                 0.5801                -0.3624
 Delta2 Fr= 1--      0.8731                 0.0160                 0.0329
 Raman1 Fr= 1--      11.645                 14.928                  4.829
 ROA1   Fr= 1--     172.401                 56.203                -33.737
 CID1   Fr= 1--      14.804                  3.765                 -6.987
 Raman2 Fr= 1--       4.965                  6.310                  1.799
 ROA2   Fr= 1--      29.130                 13.795                 -8.961
 CID2   Fr= 1--       5.867                  2.186                 -4.980
 Raman3 Fr= 1--       9.931                 12.621                  3.599
 ROA3   Fr= 1--     172.401                 56.203                -33.737
 CID3   Fr= 1--      17.360                  4.453                 -9.374
 RC180  Fr= 1--       0.706                  0.691                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.10    -0.04   0.04  -0.06     0.03  -0.03   0.14
     2   6     0.02  -0.00   0.05    -0.04   0.06  -0.17     0.02  -0.00  -0.01
     3   6    -0.03   0.01  -0.14    -0.03  -0.02   0.11     0.02  -0.02   0.04
     4   6    -0.00  -0.03  -0.04    -0.01  -0.04   0.15    -0.00   0.01  -0.10
     5   6     0.03  -0.04   0.06    -0.01  -0.03   0.10     0.01   0.01  -0.08
     6   6     0.04  -0.03   0.13    -0.02   0.03  -0.06     0.01   0.02  -0.13
     7   6    -0.00  -0.03   0.00    -0.01  -0.02   0.02     0.00   0.02  -0.07
     8   6    -0.05  -0.04  -0.15    -0.09  -0.01  -0.07    -0.01   0.03  -0.03
     9   6     0.05  -0.07   0.02     0.01  -0.05   0.12     0.05  -0.08   0.17
    10   1    -0.04   0.06  -0.18    -0.06   0.06  -0.12     0.04  -0.07   0.30
    11   1     0.03   0.01   0.09    -0.05   0.11  -0.33     0.02  -0.01   0.00
    12   1    -0.06   0.02  -0.23    -0.04  -0.03   0.15     0.03  -0.04   0.12
    13   1     0.07  -0.05   0.22    -0.01   0.05  -0.14     0.00   0.03  -0.17
    14   1     0.05  -0.15   0.10    -0.11  -0.02  -0.01     0.06   0.02  -0.05
    15   6    -0.03   0.19   0.15     0.21   0.03  -0.07    -0.10   0.05  -0.00
    16   1    -0.27  -0.08  -0.16    -0.31  -0.00  -0.08    -0.17   0.11  -0.01
    17   1     0.02  -0.01  -0.35    -0.02   0.03  -0.27     0.04   0.01  -0.15
    18   1     0.03  -0.03   0.12     0.00   0.01   0.26     0.16   0.09   0.48
    19   1     0.16  -0.17   0.01     0.10  -0.21   0.12     0.03  -0.45   0.25
    20   1    -0.09   0.34   0.04     0.36   0.04  -0.05    -0.28   0.02  -0.02
    21   1    -0.02   0.21   0.22     0.19   0.05  -0.27    -0.08   0.13   0.15
    22   1    -0.01   0.20   0.30     0.27   0.02   0.03    -0.05   0.02  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    246.1990               290.6034               365.3570
 Red. masses --      1.0453                 2.8329                 2.6788
 Frc consts  --      0.0373                 0.1410                 0.2107
 IR Inten    --      0.0263                 1.0015                 0.4251
 RamAct Fr= 1--      0.0382                 0.6337                 0.7052
  Dep-P Fr= 1--      0.6405                 0.5313                 0.1833
  Dep-U Fr= 1--      0.7809                 0.6939                 0.3098
 Alpha2 Fr= 1--      0.0001                 0.0027                 0.0100
 Beta2  Fr= 1--      0.0050                 0.0733                 0.0364
 AlphaG Fr= 1--     -0.0004                -0.0042                 0.0008
 Gamma2 Fr= 1--     -0.0645                 0.3266                -1.0686
 Delta2 Fr= 1--      0.0331                 0.0649                -0.2146
 Raman1 Fr= 1--       0.153                  2.535                  2.821
 ROA1   Fr= 1--      -5.136                 33.428               -109.459
 CID1   Fr= 1--     -33.655                 13.187                -38.806
 Raman2 Fr= 1--       0.060                  0.879                  0.437
 ROA2   Fr= 1--      -1.814                  7.318                -23.931
 CID2   Fr= 1--     -30.442                  8.321                -54.762
 Raman3 Fr= 1--       0.119                  1.759                  0.874
 ROA3   Fr= 1--      -5.136                 33.428               -109.459
 CID3   Fr= 1--     -43.099                 19.004               -125.241
 RC180  Fr= 1--       0.562                  0.388                 -0.380
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.01    -0.09   0.04   0.05    -0.03   0.02  -0.01
     2   6    -0.00   0.02   0.00    -0.04   0.05   0.10     0.00   0.05  -0.12
     3   6    -0.02  -0.00   0.00    -0.11  -0.00  -0.10    -0.03  -0.08   0.16
     4   6     0.00  -0.02   0.01    -0.03  -0.07  -0.10    -0.00  -0.06  -0.04
     5   6     0.00  -0.01   0.01    -0.03  -0.06  -0.12     0.03  -0.09   0.06
     6   6     0.01   0.00   0.01     0.00   0.01  -0.07     0.06  -0.05   0.11
     7   6     0.01  -0.01   0.01     0.03  -0.03   0.00    -0.00   0.02  -0.15
     8   6    -0.01  -0.00  -0.00     0.05  -0.02   0.14     0.07   0.02   0.06
     9   6    -0.01   0.00  -0.02    -0.05  -0.06   0.02    -0.01  -0.03  -0.01
    10   1    -0.02   0.03  -0.02    -0.11   0.06   0.15    -0.06   0.06  -0.05
    11   1    -0.00   0.03  -0.00    -0.01   0.07   0.24    -0.00   0.13  -0.29
    12   1    -0.03  -0.00  -0.00    -0.20  -0.02  -0.13    -0.07  -0.12   0.29
    13   1     0.03   0.01   0.01     0.09   0.03  -0.07     0.13  -0.05   0.20
    14   1     0.02   0.00   0.01     0.11  -0.01   0.01     0.04   0.04  -0.15
    15   6     0.02  -0.00   0.00     0.19   0.10   0.01    -0.08   0.14  -0.07
    16   1    -0.01  -0.02  -0.01     0.27   0.06   0.16     0.36   0.17   0.10
    17   1    -0.01   0.01  -0.01    -0.02  -0.07   0.34    -0.01  -0.10   0.33
    18   1    -0.03  -0.01  -0.05     0.00  -0.05   0.05    -0.11  -0.09  -0.11
    19   1    -0.00   0.04  -0.03    -0.19  -0.10   0.07    -0.03   0.12  -0.03
    20   1    -0.46  -0.30   0.09     0.30   0.21  -0.04    -0.18   0.28  -0.18
    21   1     0.10   0.51   0.23     0.18   0.19  -0.15    -0.07   0.14   0.05
    22   1     0.44  -0.24  -0.33     0.30   0.09   0.21    -0.09   0.16   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    413.0301               446.7862               536.0813
 Red. masses --      2.7330                 2.7308                 4.7337
 Frc consts  --      0.2747                 0.3212                 0.8015
 IR Inten    --      0.2925                 6.6577                 0.5122
 RamAct Fr= 1--      0.5686                 0.6727                11.0460
  Dep-P Fr= 1--      0.7453                 0.4124                 0.1865
  Dep-U Fr= 1--      0.8540                 0.5840                 0.3144
 Alpha2 Fr= 1--      0.0000                 0.0048                 0.1554
 Beta2  Fr= 1--      0.0809                 0.0655                 0.5788
 AlphaG Fr= 1--     -0.0006                 0.0034                 0.0074
 Gamma2 Fr= 1--      0.3410                 0.4254                -1.4351
 Delta2 Fr= 1--      0.0122                 0.1981                -0.1581
 Raman1 Fr= 1--       2.275                  2.691                 44.184
 ROA1   Fr= 1--      33.125                 47.178               -142.833
 CID1   Fr= 1--      14.563                 17.532                 -3.233
 Raman2 Fr= 1--       0.971                  0.786                  6.945
 ROA2   Fr= 1--       8.086                  8.625                -33.178
 CID2   Fr= 1--       8.325                 10.978                 -4.777
 Raman3 Fr= 1--       1.943                  1.571                 13.891
 ROA3   Fr= 1--      33.125                 47.178               -142.833
 CID3   Fr= 1--      17.052                 30.023                -10.282
 RC180  Fr= 1--       0.708                  0.168                 -0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.09  -0.02     0.02  -0.03   0.13     0.20   0.06  -0.11
     2   6    -0.03  -0.10  -0.01     0.04   0.00  -0.00     0.25   0.04   0.08
     3   6     0.03   0.05   0.00    -0.02   0.01  -0.16     0.13  -0.13   0.01
     4   6    -0.07   0.12   0.05     0.00  -0.04   0.09    -0.05  -0.04   0.07
     5   6    -0.02   0.14   0.03     0.05  -0.07   0.24    -0.03   0.01  -0.09
     6   6    -0.10   0.01   0.01     0.03   0.03  -0.15     0.10   0.16  -0.02
     7   6    -0.13  -0.04  -0.03    -0.03  -0.00  -0.05    -0.19  -0.05   0.00
     8   6     0.09  -0.15   0.03    -0.01   0.00   0.01    -0.19  -0.08   0.10
     9   6     0.15  -0.01   0.00    -0.01   0.02   0.01    -0.15  -0.03   0.02
    10   1     0.05  -0.13  -0.04     0.01  -0.03   0.20     0.09   0.19  -0.18
    11   1    -0.05  -0.15  -0.01     0.03   0.04  -0.10     0.23  -0.10   0.17
    12   1     0.17   0.09  -0.02    -0.05   0.08  -0.49     0.18  -0.12   0.02
    13   1    -0.25  -0.03   0.01     0.00   0.10  -0.51     0.13   0.16  -0.00
    14   1    -0.27  -0.10  -0.03    -0.07   0.01  -0.07    -0.27  -0.03  -0.04
    15   6     0.01   0.09  -0.05    -0.05   0.04  -0.04    -0.05   0.06  -0.07
    16   1     0.31  -0.07   0.05     0.06   0.05   0.03    -0.12  -0.03   0.11
    17   1     0.06  -0.35   0.20    -0.02  -0.05   0.07    -0.20  -0.15   0.15
    18   1     0.32   0.01   0.00    -0.20  -0.11  -0.20    -0.09  -0.04  -0.01
    19   1     0.17  -0.05   0.00     0.11   0.31  -0.07    -0.27  -0.03   0.05
    20   1    -0.03   0.14  -0.09    -0.11   0.10  -0.08    -0.01   0.13  -0.10
    21   1     0.03   0.33  -0.13    -0.05   0.05   0.03    -0.05   0.21  -0.19
    22   1     0.24   0.02   0.07    -0.06   0.06   0.01     0.11   0.01   0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    555.3319               599.6320               668.6377
 Red. masses --      3.3375                 4.7828                 2.6843
 Frc consts  --      0.6064                 1.0132                 0.7071
 IR Inten    --      2.2008                 0.8571                 0.3238
 RamAct Fr= 1--      0.7316                 2.8914                 0.5293
  Dep-P Fr= 1--      0.7366                 0.7165                 0.0578
  Dep-U Fr= 1--      0.8483                 0.8348                 0.1093
 Alpha2 Fr= 1--      0.0002                 0.0017                 0.0103
 Beta2  Fr= 1--      0.1034                 0.4023                 0.0096
 AlphaG Fr= 1--      0.0034                 0.0065                -0.0265
 Gamma2 Fr= 1--      0.8910                -0.1720                 0.2057
 Delta2 Fr= 1--      0.1700                 0.2666                -0.0865
 Raman1 Fr= 1--       2.926                 11.566                  2.117
 ROA1   Fr= 1--      90.973                 -7.979                 16.980
 CID1   Fr= 1--      31.088                 -0.690                  8.021
 Raman2 Fr= 1--       1.241                  4.828                  0.116
 ROA2   Fr= 1--      20.023                 -6.260                  5.630
 CID2   Fr= 1--      16.131                 -1.297                 48.644
 Raman3 Fr= 1--       2.483                  9.655                  0.231
 ROA3   Fr= 1--      90.973                 -7.979                 16.980
 CID3   Fr= 1--      36.645                 -0.826                 73.359
 RC180  Fr= 1--       0.697                  0.670                 -0.781
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.02  -0.17    -0.18  -0.16  -0.01     0.03  -0.04   0.08
     2   6    -0.01  -0.06   0.21     0.17  -0.07  -0.05     0.07   0.03  -0.07
     3   6    -0.05  -0.03   0.09    -0.17  -0.11  -0.01    -0.02  -0.13  -0.09
     4   6     0.02  -0.07   0.23    -0.13  -0.02  -0.05    -0.09  -0.03   0.06
     5   6     0.03  -0.02  -0.05     0.17   0.06  -0.06    -0.06  -0.01  -0.01
     6   6     0.01  -0.03  -0.14     0.20  -0.09  -0.03    -0.01   0.09   0.10
     7   6     0.03   0.07  -0.03    -0.14   0.06   0.11    -0.05   0.14   0.10
     8   6     0.09   0.08  -0.04    -0.05   0.08   0.06     0.10   0.08  -0.09
     9   6     0.05  -0.01  -0.02     0.13   0.21   0.05     0.01  -0.10  -0.10
    10   1    -0.12   0.09  -0.48    -0.29  -0.05   0.12    -0.08   0.07   0.08
    11   1     0.02  -0.02   0.35     0.24   0.14   0.07     0.03  -0.01  -0.21
    12   1    -0.09   0.00  -0.08    -0.06  -0.11   0.11    -0.03  -0.10  -0.21
    13   1     0.00   0.01  -0.32     0.10  -0.15   0.10    -0.04   0.10   0.06
    14   1    -0.07   0.07  -0.05    -0.04   0.12   0.09    -0.07   0.04   0.16
    15   6    -0.06   0.04  -0.05    -0.01   0.01  -0.00    -0.00   0.01   0.02
    16   1     0.21   0.13  -0.03    -0.26  -0.00   0.03     0.41   0.02  -0.10
    17   1     0.05   0.04   0.08     0.06  -0.03  -0.19    -0.01   0.06   0.22
    18   1     0.06   0.09   0.19     0.10   0.14  -0.08    -0.01   0.07   0.26
    19   1     0.03  -0.23   0.03     0.08   0.32   0.04     0.10  -0.45  -0.05
    20   1    -0.16   0.02  -0.06     0.16  -0.10   0.10     0.13  -0.22   0.20
    21   1    -0.05  -0.06   0.12    -0.03   0.06  -0.24    -0.02  -0.06  -0.13
    22   1    -0.18   0.08  -0.13     0.08  -0.03  -0.04    -0.04  -0.01  -0.21
                     13                     14                     15
                      A                      A                      A
 Frequencies --    739.3819               763.2320               783.9892
 Red. masses --      2.6396                 1.5147                 2.5628
 Frc consts  --      0.8502                 0.5199                 0.9281
 IR Inten    --      9.8551                43.4738                 4.6059
 RamAct Fr= 1--      5.2378                 9.3537                18.4517
  Dep-P Fr= 1--      0.0681                 0.1140                 0.0635
  Dep-U Fr= 1--      0.1275                 0.2046                 0.1195
 Alpha2 Fr= 1--      0.0991                 0.1582                 0.3529
 Beta2  Fr= 1--      0.1113                 0.3190                 0.3675
 AlphaG Fr= 1--      0.0729                 0.0213                 0.0228
 Gamma2 Fr= 1--      0.1465                -1.1761                -0.9580
 Delta2 Fr= 1--      0.1979                -0.1114                 0.0249
 Raman1 Fr= 1--      20.951                 37.415                 73.807
 ROA1   Fr= 1--      20.402               -116.466                -91.168
 CID1   Fr= 1--       0.974                 -3.113                 -1.235
 Raman2 Fr= 1--       1.335                  3.828                  4.409
 ROA2   Fr= 1--       1.934                -27.334                -23.190
 CID2   Fr= 1--       1.448                 -7.140                 -5.259
 Raman3 Fr= 1--       2.670                  7.656                  8.819
 ROA3   Fr= 1--      20.402               -116.466                -91.168
 CID3   Fr= 1--       7.640                -15.212                -10.338
 RC180  Fr= 1--      -0.745                 -0.591                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.14     0.00   0.03  -0.03     0.03   0.05   0.00
     2   6     0.00   0.00   0.06    -0.03   0.02  -0.09    -0.06  -0.00   0.07
     3   6    -0.00  -0.14   0.02     0.01   0.08  -0.06     0.04   0.08   0.05
     4   6    -0.06  -0.01  -0.14     0.03  -0.00   0.10     0.03   0.04  -0.11
     5   6    -0.05  -0.02   0.16     0.02  -0.04  -0.01     0.03  -0.09   0.03
     6   6    -0.10   0.14  -0.08     0.03  -0.06  -0.04     0.04  -0.11  -0.03
     7   6     0.04   0.05   0.01    -0.03   0.03   0.04    -0.07   0.14   0.14
     8   6     0.06  -0.00  -0.01    -0.00  -0.00  -0.01    -0.01  -0.06   0.03
     9   6     0.07  -0.03   0.04    -0.02  -0.04  -0.01     0.01  -0.11  -0.02
    10   1    -0.02   0.01   0.29     0.11  -0.15   0.55     0.11   0.01  -0.25
    11   1    -0.00  -0.20   0.40     0.05  -0.07   0.55    -0.07   0.12  -0.24
    12   1     0.00  -0.25   0.46     0.04   0.01   0.26     0.01   0.08   0.04
    13   1    -0.12   0.11   0.07     0.13  -0.14   0.38     0.13  -0.04  -0.27
    14   1     0.14   0.05   0.04    -0.12  -0.00   0.03     0.05   0.07   0.22
    15   6     0.01   0.00   0.01    -0.03   0.03  -0.03    -0.07   0.09  -0.05
    16   1    -0.06  -0.01  -0.01     0.07  -0.02  -0.01    -0.11  -0.18   0.01
    17   1     0.11   0.00  -0.13    -0.03  -0.02   0.06     0.03  -0.07  -0.07
    18   1    -0.06  -0.16  -0.21    -0.07  -0.02   0.03    -0.04  -0.17  -0.12
    19   1     0.18   0.28  -0.06     0.01  -0.07  -0.01     0.01   0.01  -0.04
    20   1     0.06  -0.07   0.07    -0.01  -0.02   0.01     0.22  -0.22   0.20
    21   1     0.01  -0.04  -0.03    -0.03   0.01  -0.05    -0.11   0.08  -0.45
    22   1    -0.01   0.00  -0.08    -0.04   0.02  -0.08    -0.01   0.02  -0.32
                     16                     17                     18
                      A                      A                      A
 Frequencies --    787.9166               852.6370               879.7097
 Red. masses --      2.2720                 3.7913                 1.3434
 Frc consts  --      0.8310                 1.6239                 0.6125
 IR Inten    --      1.4639                 0.5249                 0.0134
 RamAct Fr= 1--      0.8012                 8.5616                 2.0393
  Dep-P Fr= 1--      0.6300                 0.1012                 0.7336
  Dep-U Fr= 1--      0.7730                 0.1838                 0.8463
 Alpha2 Fr= 1--      0.0017                 0.1495                 0.0006
 Beta2  Fr= 1--      0.1032                 0.2622                 0.2876
 AlphaG Fr= 1--     -0.0107                -0.0196                -0.0027
 Gamma2 Fr= 1--      1.6426                 0.1170                 0.1969
 Delta2 Fr= 1--      0.4359                 0.3004                 0.1386
 Raman1 Fr= 1--       3.205                 34.246                  8.157
 ROA1   Fr= 1--     171.641                 20.840                 23.336
 CID1   Fr= 1--      53.556                  0.609                  2.861
 Raman2 Fr= 1--       1.239                  3.146                  3.452
 ROA2   Fr= 1--      35.936                  0.404                  3.616
 CID2   Fr= 1--      29.012                  0.128                  1.048
 Raman3 Fr= 1--       2.477                  6.293                  6.904
 ROA3   Fr= 1--     171.641                 20.840                 23.336
 CID3   Fr= 1--      69.283                  3.312                  3.380
 RC180  Fr= 1--       0.546                 -0.632                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.06     0.15   0.14   0.02     0.01  -0.02   0.06
     2   6     0.07  -0.04   0.04    -0.19   0.06   0.03     0.00   0.01  -0.05
     3   6    -0.00   0.09   0.06     0.07  -0.14  -0.04     0.01  -0.01   0.09
     4   6    -0.02   0.08  -0.12     0.03  -0.11  -0.03    -0.01   0.02  -0.04
     5   6     0.04  -0.00   0.12     0.02  -0.07  -0.02     0.00  -0.01   0.02
     6   6     0.06  -0.03  -0.05    -0.04  -0.09  -0.02    -0.01   0.02  -0.10
     7   6    -0.07  -0.06  -0.03    -0.16  -0.06   0.01    -0.02   0.01  -0.01
     8   6    -0.03   0.06  -0.09     0.03   0.08  -0.06     0.02   0.01  -0.02
     9   6    -0.09  -0.00  -0.03     0.09   0.24   0.04    -0.01  -0.02   0.02
    10   1    -0.00  -0.06   0.03     0.19   0.09  -0.02    -0.03   0.08  -0.40
    11   1     0.09   0.07  -0.00    -0.24  -0.07  -0.01     0.04  -0.06   0.31
    12   1     0.12   0.08   0.24    -0.17  -0.19  -0.02    -0.04   0.13  -0.53
    13   1     0.02  -0.01  -0.20     0.15  -0.05  -0.01     0.06  -0.12   0.59
    14   1    -0.08  -0.15   0.03    -0.17  -0.13   0.05    -0.00  -0.04   0.03
    15   6     0.03  -0.07   0.09    -0.03  -0.04   0.04     0.00  -0.01   0.02
    16   1     0.44   0.11  -0.07     0.24   0.09  -0.06     0.04   0.05  -0.01
    17   1    -0.20   0.01   0.37     0.02  -0.21   0.07     0.01  -0.02   0.01
    18   1    -0.27   0.13   0.28     0.02   0.32   0.22    -0.11  -0.06  -0.05
    19   1     0.13  -0.27  -0.03     0.21   0.03   0.05     0.03   0.08  -0.01
    20   1     0.09  -0.05   0.09     0.12  -0.01   0.05     0.05  -0.04   0.06
    21   1     0.03   0.01  -0.01    -0.04   0.15  -0.23    -0.00   0.01  -0.05
    22   1     0.13  -0.10   0.16     0.19  -0.12   0.19     0.03  -0.02   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    908.7120               936.6976               962.1341
 Red. masses --      1.9451                 1.3796                 1.3811
 Frc consts  --      0.9463                 0.7132                 0.7533
 IR Inten    --      0.1868                 0.7735                 0.2647
 RamAct Fr= 1--      1.9780                 0.2174                 1.5961
  Dep-P Fr= 1--      0.7498                 0.6733                 0.3785
  Dep-U Fr= 1--      0.8570                 0.8047                 0.5491
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0127
 Beta2  Fr= 1--      0.2825                 0.0292                 0.1461
 AlphaG Fr= 1--     -0.0009                 0.0021                 0.0163
 Gamma2 Fr= 1--     -0.1568                 0.2735                 0.0329
 Delta2 Fr= 1--     -0.2782                -0.0355                 0.1841
 Raman1 Fr= 1--       7.912                  0.870                  6.385
 ROA1   Fr= 1--     -23.956                 25.119                  9.055
 CID1   Fr= 1--      -3.028                 28.887                  1.418
 Raman2 Fr= 1--       3.390                  0.350                  1.753
 ROA2   Fr= 1--      -1.538                  6.848                 -0.683
 CID2   Fr= 1--      -0.454                 19.573                 -0.389
 Raman3 Fr= 1--       6.781                  0.700                  3.506
 ROA3   Fr= 1--     -23.956                 25.119                  9.055
 CID3   Fr= 1--      -3.533                 35.896                  2.583
 RC180  Fr= 1--       0.714                  0.609                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.01     0.00  -0.01   0.06    -0.01   0.02  -0.08
     2   6     0.03  -0.00   0.02     0.00  -0.01   0.07     0.02  -0.02   0.07
     3   6    -0.01   0.04  -0.03    -0.01   0.02  -0.11     0.00  -0.01   0.05
     4   6    -0.03   0.03   0.03     0.00  -0.01   0.03     0.01  -0.00   0.01
     5   6    -0.02  -0.03  -0.05     0.00   0.00   0.01    -0.01   0.01  -0.03
     6   6     0.00  -0.00   0.01    -0.01   0.02  -0.09    -0.00   0.01  -0.03
     7   6    -0.07  -0.04  -0.00     0.01   0.01   0.00     0.02   0.01  -0.01
     8   6     0.21   0.08  -0.04    -0.04  -0.01  -0.02     0.02  -0.06  -0.05
     9   6    -0.06  -0.06   0.07     0.01   0.00   0.01    -0.05   0.05   0.06
    10   1     0.01  -0.01  -0.04    -0.04   0.08  -0.34     0.03  -0.10   0.54
    11   1     0.01   0.04  -0.17    -0.04   0.09  -0.40    -0.03   0.11  -0.49
    12   1     0.08   0.01   0.19     0.05  -0.13   0.55    -0.05   0.07  -0.35
    13   1     0.03   0.00  -0.00     0.06  -0.11   0.51     0.02  -0.05   0.26
    14   1    -0.31  -0.13   0.00    -0.03   0.00  -0.00     0.00  -0.13   0.08
    15   6    -0.03  -0.04   0.02     0.02   0.01  -0.01     0.02   0.03   0.01
    16   1    -0.16   0.16  -0.03     0.08   0.02  -0.00     0.09   0.03  -0.03
    17   1     0.32   0.12  -0.35    -0.07  -0.06   0.09     0.03  -0.22  -0.00
    18   1    -0.31  -0.19  -0.14    -0.01  -0.01  -0.01    -0.09   0.03   0.01
    19   1    -0.30   0.25   0.07     0.09   0.03  -0.02    -0.11   0.09   0.06
    20   1     0.04   0.07  -0.04    -0.05  -0.02   0.00     0.01  -0.12   0.10
    21   1    -0.02   0.14  -0.10     0.02  -0.08   0.10     0.01  -0.10   0.02
    22   1     0.17  -0.10   0.22    -0.08   0.04  -0.08    -0.10   0.05  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    963.4952               974.4968              1034.1675
 Red. masses --      1.6491                 2.0352                 1.7264
 Frc consts  --      0.9020                 1.1387                 1.0878
 IR Inten    --      0.5368                 0.6672                 2.2682
 RamAct Fr= 1--      2.8011                 5.3897                10.9354
  Dep-P Fr= 1--      0.2694                 0.7268                 0.1649
  Dep-U Fr= 1--      0.4244                 0.8418                 0.2831
 Alpha2 Fr= 1--      0.0314                 0.0021                 0.1627
 Beta2  Fr= 1--      0.1981                 0.7562                 0.5160
 AlphaG Fr= 1--     -0.0844                -0.0080                 0.2128
 Gamma2 Fr= 1--      1.0951                -1.3678                -1.2478
 Delta2 Fr= 1--     -0.0859                -1.1778                -0.7177
 Raman1 Fr= 1--      11.204                 21.559                 43.741
 ROA1   Fr= 1--     102.377               -168.997               -142.752
 CID1   Fr= 1--       9.137                 -7.839                 -3.264
 Raman2 Fr= 1--       2.378                  9.074                  6.192
 ROA2   Fr= 1--      26.969                -23.404                -24.204
 CID2   Fr= 1--      11.343                 -2.579                 -3.909
 Raman3 Fr= 1--       4.755                 18.148                 12.384
 ROA3   Fr= 1--     102.377               -168.997               -142.752
 CID3   Fr= 1--      21.529                 -9.312                -11.527
 RC180  Fr= 1--      -0.151                  0.684                 -0.434
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.05     0.03   0.02  -0.01     0.03   0.04   0.01
     2   6     0.02   0.01  -0.06    -0.03   0.01  -0.00     0.00   0.02   0.00
     3   6    -0.01   0.00  -0.03     0.01   0.00   0.00     0.00  -0.03   0.00
     4   6     0.01  -0.00  -0.00    -0.04   0.01   0.02    -0.07   0.05  -0.03
     5   6    -0.01   0.01  -0.02     0.00  -0.00  -0.07    -0.01  -0.02   0.04
     6   6     0.00  -0.00   0.05     0.02  -0.04   0.03     0.02  -0.08  -0.03
     7   6     0.03   0.00  -0.01    -0.08   0.09  -0.10    -0.04   0.13   0.01
     8   6     0.04  -0.11  -0.08    -0.10   0.05  -0.03     0.05  -0.08   0.02
     9   6    -0.08   0.09   0.09     0.09  -0.11   0.05    -0.05   0.03  -0.03
    10   1    -0.07   0.09  -0.31     0.07  -0.02   0.03    -0.01   0.09  -0.01
    11   1     0.06  -0.07   0.37    -0.02  -0.00   0.03     0.02   0.06   0.04
    12   1     0.00  -0.05   0.21     0.02   0.02  -0.03     0.01  -0.02  -0.03
    13   1    -0.05   0.07  -0.31     0.03   0.01  -0.17     0.05  -0.08  -0.02
    14   1     0.03  -0.21   0.13    -0.18   0.05  -0.10    -0.26   0.38  -0.21
    15   6     0.02   0.06   0.00     0.09  -0.03   0.12     0.09  -0.05  -0.00
    16   1     0.15   0.02  -0.05     0.05   0.48   0.07    -0.06  -0.29  -0.03
    17   1     0.05  -0.36  -0.00    -0.12  -0.23   0.13     0.13  -0.20  -0.17
    18   1    -0.17   0.06   0.04     0.11  -0.30  -0.35    -0.09   0.12   0.15
    19   1    -0.15   0.14   0.10     0.04   0.30  -0.02    -0.10  -0.14   0.02
    20   1     0.03  -0.18   0.16     0.01  -0.15   0.18    -0.22   0.16  -0.20
    21   1     0.00  -0.16   0.01     0.08  -0.20   0.26     0.13  -0.11   0.47
    22   1    -0.15   0.08  -0.33    -0.08   0.01  -0.07    -0.11   0.06   0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1050.7923              1089.0788              1106.4114
 Red. masses --      2.2062                 1.8019                 1.6694
 Frc consts  --      1.4353                 1.2592                 1.2041
 IR Inten    --      3.2533                 3.2263                 0.9320
 RamAct Fr= 1--     41.7512                 8.6586                 0.3999
  Dep-P Fr= 1--      0.0398                 0.3701                 0.4135
  Dep-U Fr= 1--      0.0766                 0.5402                 0.5851
 Alpha2 Fr= 1--      0.8449                 0.0711                 0.0028
 Beta2  Fr= 1--      0.5329                 0.7796                 0.0390
 AlphaG Fr= 1--      0.0012                -0.0191                 0.0010
 Gamma2 Fr= 1--      0.6501                -0.4984                -0.6286
 Delta2 Fr= 1--      0.2544                 1.7804                -0.4493
 Raman1 Fr= 1--     167.005                 34.634                  1.600
 ROA1   Fr= 1--      70.550                  9.128                -74.724
 CID1   Fr= 1--       0.422                  0.264                -46.716
 Raman2 Fr= 1--       6.395                  9.355                  0.468
 ROA2   Fr= 1--      13.567                -26.204                -11.493
 CID2   Fr= 1--       2.121                 -2.801                -24.559
 Raman3 Fr= 1--      12.790                 18.711                  0.936
 ROA3   Fr= 1--      70.550                  9.128                -74.724
 CID3   Fr= 1--       5.516                  0.488                -79.840
 RC180  Fr= 1--      -0.847                  0.080                  0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.16  -0.02     0.02   0.02  -0.00     0.01   0.03   0.01
     2   6    -0.16   0.09   0.04    -0.02   0.01   0.00    -0.03   0.03   0.01
     3   6     0.11  -0.07  -0.02     0.01  -0.04   0.01     0.03  -0.07  -0.02
     4   6     0.02   0.02  -0.00    -0.04   0.04  -0.05    -0.05   0.05  -0.00
     5   6     0.03  -0.01  -0.01     0.02   0.03  -0.04     0.02   0.04   0.08
     6   6     0.07   0.11   0.02     0.01  -0.03   0.01     0.02  -0.07  -0.04
     7   6    -0.01   0.02   0.00     0.01  -0.10   0.15    -0.02  -0.07  -0.06
     8   6    -0.01  -0.02  -0.00    -0.01   0.05  -0.03     0.04   0.01   0.07
     9   6    -0.02   0.00   0.00     0.02  -0.03   0.06    -0.03  -0.00  -0.09
    10   1     0.01  -0.30  -0.06     0.00   0.04   0.01    -0.08   0.13   0.02
    11   1    -0.12   0.29   0.08    -0.02   0.02   0.01     0.02   0.17   0.05
    12   1     0.57   0.04  -0.06     0.03  -0.00  -0.10     0.17  -0.05   0.01
    13   1     0.53   0.23  -0.01    -0.02  -0.02  -0.09    -0.01  -0.10   0.04
    14   1    -0.06   0.04  -0.02    -0.31  -0.23   0.15    -0.15  -0.34   0.08
    15   6     0.00  -0.01   0.00     0.05   0.04  -0.12     0.03   0.06   0.03
    16   1     0.01  -0.03  -0.01     0.13  -0.06  -0.05    -0.23   0.22   0.11
    17   1    -0.01  -0.05   0.00    -0.14   0.36   0.19     0.07   0.27  -0.10
    18   1    -0.08   0.00   0.02    -0.21  -0.12  -0.07     0.37   0.09   0.02
    19   1    -0.02  -0.01   0.01     0.29   0.17  -0.05    -0.33  -0.19   0.03
    20   1    -0.02   0.02  -0.02    -0.28   0.10  -0.22     0.02  -0.19   0.18
    21   1     0.01   0.01   0.03     0.07  -0.14   0.30     0.01  -0.17   0.03
    22   1     0.01  -0.00   0.04    -0.24   0.16  -0.14    -0.12   0.07  -0.28
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1119.8222              1182.2712              1183.3276
 Red. masses --      1.8852                 1.1352                 1.9750
 Frc consts  --      1.3929                 0.9349                 1.6294
 IR Inten    --      1.6742                 0.1317                 1.1567
 RamAct Fr= 1--      1.6596                 5.6114                 1.4715
  Dep-P Fr= 1--      0.3808                 0.3247                 0.2640
  Dep-U Fr= 1--      0.5515                 0.4902                 0.4178
 Alpha2 Fr= 1--      0.0131                 0.0534                 0.0168
 Beta2  Fr= 1--      0.1526                 0.4585                 0.1025
 AlphaG Fr= 1--      0.0184                -0.0440                -0.0140
 Gamma2 Fr= 1--     -0.3240                -0.3866                 0.6552
 Delta2 Fr= 1--      0.0463                -0.0357                 0.3423
 Raman1 Fr= 1--       6.638                 22.446                  5.886
 ROA1   Fr= 1--     -29.619                -38.254                 73.856
 CID1   Fr= 1--      -4.462                 -1.704                 12.548
 Raman2 Fr= 1--       1.831                  5.502                  1.229
 ROA2   Fr= 1--      -8.146                 -8.992                 12.987
 CID2   Fr= 1--      -4.450                 -1.634                 10.563
 Raman3 Fr= 1--       3.661                 11.004                  2.459
 ROA3   Fr= 1--     -29.619                -38.254                 73.856
 CID3   Fr= 1--      -8.090                 -3.477                 30.037
 RC180  Fr= 1--       0.103                 -0.020                 -0.164
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.01     0.03  -0.05  -0.01    -0.09  -0.01   0.01
     2   6    -0.00  -0.05  -0.01     0.01   0.06   0.01     0.08   0.01  -0.01
     3   6    -0.06   0.11   0.03    -0.02  -0.02  -0.00     0.07   0.04   0.01
     4   6     0.00  -0.06  -0.04     0.03  -0.01  -0.01     0.13  -0.05  -0.05
     5   6     0.00  -0.09   0.02     0.01   0.00   0.01    -0.09  -0.12   0.01
     6   6     0.01   0.12   0.02    -0.03   0.01   0.00    -0.07   0.01   0.01
     7   6    -0.08  -0.05   0.02    -0.01   0.01   0.01    -0.04  -0.01   0.08
     8   6     0.01   0.05   0.06    -0.00   0.00  -0.00    -0.02   0.07  -0.01
     9   6     0.04   0.04  -0.07    -0.00  -0.00  -0.01     0.05   0.02  -0.02
    10   1     0.29  -0.31  -0.11     0.37  -0.41  -0.13    -0.37   0.28   0.09
    11   1    -0.11  -0.41  -0.06     0.17   0.59   0.11     0.15   0.23   0.04
    12   1    -0.25   0.07   0.03    -0.33  -0.09   0.01     0.37   0.12  -0.03
    13   1     0.29   0.19   0.03    -0.37  -0.08   0.03    -0.28  -0.05   0.03
    14   1    -0.15  -0.08   0.02    -0.08  -0.02   0.01    -0.21  -0.06   0.07
    15   6     0.06   0.04  -0.01     0.00  -0.00  -0.00     0.01  -0.01  -0.04
    16   1    -0.13   0.07   0.06    -0.01   0.03   0.01     0.01   0.20   0.02
    17   1     0.11  -0.15  -0.13     0.00  -0.04  -0.00     0.06  -0.39  -0.05
    18   1     0.01   0.11   0.10     0.01   0.00   0.01     0.28   0.04  -0.04
    19   1    -0.13  -0.13   0.01    -0.05  -0.01   0.01    -0.11  -0.01   0.02
    20   1    -0.12  -0.07   0.02    -0.01   0.01  -0.01    -0.10   0.07  -0.11
    21   1     0.06  -0.19   0.21     0.00   0.00   0.01     0.02   0.01   0.08
    22   1    -0.19   0.12  -0.20    -0.01   0.00   0.00    -0.05   0.03   0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1191.2683              1218.0960              1231.3432
 Red. masses --      1.3161                 1.4674                 2.0955
 Frc consts  --      1.1004                 1.2828                 1.8719
 IR Inten    --      1.0313                 0.3831                 1.0687
 RamAct Fr= 1--      2.8248                 3.2712                38.3116
  Dep-P Fr= 1--      0.7312                 0.4164                 0.0941
  Dep-U Fr= 1--      0.8447                 0.5880                 0.1720
 Alpha2 Fr= 1--      0.0009                 0.0228                 0.6805
 Beta2  Fr= 1--      0.3977                 0.3206                 1.0985
 AlphaG Fr= 1--      0.0050                -0.0906                -0.1032
 Gamma2 Fr= 1--      0.4570                 1.0157                 0.7026
 Delta2 Fr= 1--      0.0184                -1.3880                 0.7648
 Raman1 Fr= 1--      11.299                 13.085                153.246
 ROA1   Fr= 1--      44.464                 53.095                 91.920
 CID1   Fr= 1--       3.935                  4.058                  0.600
 Raman2 Fr= 1--       4.772                  3.847                 13.182
 ROA2   Fr= 1--      10.821                 35.482                 10.744
 CID2   Fr= 1--       2.267                  9.224                  0.815
 Raman3 Fr= 1--       9.545                  7.694                 26.364
 ROA3   Fr= 1--      44.464                 53.095                 91.920
 CID3   Fr= 1--       4.658                  6.901                  3.487
 RC180  Fr= 1--       0.689                  0.176                 -0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00     0.03   0.02   0.00    -0.07   0.00   0.01
     2   6     0.00  -0.02  -0.00    -0.04  -0.00   0.00    -0.07  -0.04  -0.00
     3   6    -0.02  -0.01   0.00    -0.01  -0.02  -0.00     0.04  -0.06  -0.01
     4   6     0.03   0.01  -0.02    -0.08   0.01   0.01     0.17  -0.01  -0.04
     5   6    -0.02  -0.00   0.04     0.06   0.06   0.04     0.15   0.11   0.02
     6   6     0.03   0.01  -0.01     0.03  -0.01  -0.01     0.03   0.06   0.01
     7   6     0.04   0.06   0.05     0.02  -0.04   0.09    -0.03   0.04   0.01
     8   6    -0.00  -0.04  -0.08    -0.03   0.04  -0.06    -0.02  -0.01   0.02
     9   6    -0.05   0.02   0.04     0.02  -0.04  -0.03    -0.02  -0.06  -0.04
    10   1     0.05  -0.06  -0.03     0.09  -0.04  -0.02    -0.24   0.17   0.06
    11   1    -0.02  -0.11  -0.01    -0.06  -0.06  -0.00    -0.16  -0.29  -0.04
    12   1    -0.28  -0.07   0.01     0.08   0.01  -0.01    -0.38  -0.17  -0.00
    13   1     0.29   0.07  -0.01    -0.07  -0.04   0.02    -0.33  -0.02   0.04
    14   1    -0.27  -0.09   0.07     0.52   0.10   0.13    -0.46  -0.05  -0.04
    15   6    -0.02  -0.04  -0.02    -0.01  -0.02  -0.06    -0.00  -0.01   0.01
    16   1     0.11   0.14  -0.03     0.05   0.33   0.01    -0.09   0.09   0.05
    17   1    -0.11   0.19   0.13     0.02  -0.42  -0.00    -0.01  -0.08   0.00
    18   1     0.65  -0.01  -0.18    -0.04  -0.03  -0.00    -0.34  -0.05   0.08
    19   1    -0.25   0.05   0.09    -0.51  -0.03   0.11    -0.22  -0.08   0.02
    20   1    -0.01   0.11  -0.11    -0.08   0.11  -0.16     0.00   0.01   0.00
    21   1    -0.00   0.12  -0.02     0.01   0.05   0.05    -0.00   0.04  -0.02
    22   1     0.05  -0.04   0.13    -0.01   0.00   0.10    -0.01  -0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1286.8336              1301.5566              1325.3364
 Red. masses --      1.3434                 2.3558                 1.5021
 Frc consts  --      1.3107                 2.3514                 1.5546
 IR Inten    --      1.4830                 0.2740                 0.4215
 RamAct Fr= 1--      4.0848                10.3164                 2.3693
  Dep-P Fr= 1--      0.2043                 0.1321                 0.7032
  Dep-U Fr= 1--      0.3393                 0.2333                 0.8257
 Alpha2 Fr= 1--      0.0548                 0.1668                 0.0019
 Beta2  Fr= 1--      0.2310                 0.4012                 0.3261
 AlphaG Fr= 1--     -0.0936                 0.0102                -0.0051
 Gamma2 Fr= 1--      2.7172                -1.4937                 0.8069
 Delta2 Fr= 1--     -0.1090                 0.3618                 0.9181
 Raman1 Fr= 1--      16.339                 41.266                  9.477
 ROA1   Fr= 1--     257.361               -131.815                106.846
 CID1   Fr= 1--      15.751                 -3.194                 11.274
 Raman2 Fr= 1--       2.772                  4.814                  3.913
 ROA2   Fr= 1--      66.085                -38.743                 12.022
 CID2   Fr= 1--      23.844                 -8.048                  3.072
 Raman3 Fr= 1--       5.543                  9.628                  7.826
 ROA3   Fr= 1--     257.361               -131.815                106.846
 CID3   Fr= 1--      46.429                -13.690                 13.653
 RC180  Fr= 1--      -0.321                 -0.533                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.01    -0.07   0.05   0.02    -0.02   0.04   0.01
     2   6     0.02   0.01  -0.00    -0.03  -0.09  -0.02    -0.02   0.01   0.00
     3   6    -0.02  -0.03  -0.00     0.10   0.01  -0.01    -0.02   0.02   0.01
     4   6    -0.01   0.09   0.01     0.04  -0.09  -0.01    -0.05  -0.10  -0.01
     5   6    -0.05   0.01  -0.01    -0.07   0.15   0.02     0.06  -0.02  -0.02
     6   6    -0.02  -0.04  -0.00     0.09   0.01  -0.00     0.04   0.04   0.00
     7   6     0.09   0.02   0.01    -0.12  -0.03   0.01     0.00   0.08   0.01
     8   6    -0.02   0.00   0.05     0.07   0.06   0.01     0.03  -0.09   0.01
     9   6    -0.02  -0.00  -0.05    -0.15  -0.05   0.02    -0.06   0.03  -0.01
    10   1    -0.05   0.05   0.02     0.02  -0.04  -0.01     0.18  -0.16  -0.05
    11   1     0.03   0.05   0.00     0.06   0.18   0.03    -0.07  -0.18  -0.03
    12   1    -0.22  -0.08   0.00    -0.27  -0.09   0.01     0.40   0.12  -0.01
    13   1     0.33   0.05  -0.03     0.10   0.01  -0.01    -0.43  -0.08   0.02
    14   1    -0.13  -0.29   0.17     0.40   0.14   0.04    -0.02  -0.17   0.17
    15   6    -0.03  -0.02  -0.02     0.04   0.00  -0.01     0.00  -0.03  -0.01
    16   1    -0.18   0.41   0.15    -0.04  -0.01  -0.02    -0.16   0.46   0.13
    17   1     0.10  -0.40  -0.11     0.17  -0.21  -0.14    -0.01   0.18   0.01
    18   1    -0.18   0.04   0.07     0.36  -0.06  -0.12     0.05   0.06   0.02
    19   1     0.40  -0.10  -0.14     0.51   0.01  -0.17     0.32  -0.06  -0.09
    20   1     0.03   0.08  -0.07    -0.11  -0.03  -0.02    -0.01   0.07  -0.08
    21   1    -0.01   0.08  -0.02     0.03  -0.07   0.08     0.02   0.08   0.04
    22   1     0.06  -0.04   0.06    -0.09   0.06   0.00    -0.01  -0.01   0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1348.3103              1353.5243              1362.6206
 Red. masses --      1.4479                 1.3919                 3.2013
 Frc consts  --      1.5508                 1.5024                 3.5020
 IR Inten    --      0.9234                 2.1239                 4.1432
 RamAct Fr= 1--      0.6510                10.5363                11.5511
  Dep-P Fr= 1--      0.3603                 0.5740                 0.0932
  Dep-U Fr= 1--      0.5297                 0.7293                 0.1706
 Alpha2 Fr= 1--      0.0055                 0.0349                 0.2056
 Beta2  Fr= 1--      0.0575                 1.2807                 0.3284
 AlphaG Fr= 1--      0.0149                -0.0738                -0.0446
 Gamma2 Fr= 1--     -0.4425                -2.2158                -0.8346
 Delta2 Fr= 1--     -0.2162                 0.1285                -0.5437
 Raman1 Fr= 1--       2.604                 42.145                 46.204
 ROA1   Fr= 1--     -49.397               -208.603                -97.516
 CID1   Fr= 1--     -18.969                 -4.950                 -2.111
 Raman2 Fr= 1--       0.690                 15.369                  3.941
 ROA2   Fr= 1--      -8.890                -54.207                -15.680
 CID2   Fr= 1--     -12.889                 -3.527                 -3.979
 Raman3 Fr= 1--       1.380                 30.738                  7.882
 ROA3   Fr= 1--     -49.397               -208.603                -97.516
 CID3   Fr= 1--     -35.807                 -6.787                -12.372
 RC180  Fr= 1--       0.059                  0.459                 -0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.02  -0.01  -0.00     0.08  -0.14  -0.04
     2   6     0.01  -0.03  -0.01    -0.00   0.03   0.01     0.02   0.15   0.03
     3   6     0.05   0.02  -0.00    -0.03  -0.01   0.00    -0.12  -0.03   0.00
     4   6     0.03  -0.00   0.00    -0.01   0.01  -0.01     0.13   0.14   0.04
     5   6    -0.06   0.00   0.00     0.03  -0.01  -0.00     0.16  -0.07  -0.03
     6   6    -0.02  -0.00   0.00    -0.00  -0.00   0.00    -0.13  -0.02   0.01
     7   6    -0.07  -0.02   0.03     0.06  -0.11   0.08    -0.16  -0.00  -0.01
     8   6     0.03  -0.13  -0.03     0.01   0.00  -0.03     0.04  -0.01  -0.01
     9   6     0.07   0.03  -0.02    -0.06  -0.00   0.00    -0.12  -0.01   0.02
    10   1    -0.10   0.09   0.03     0.04  -0.03  -0.01    -0.25   0.20   0.07
    11   1     0.08   0.18   0.03    -0.04  -0.09  -0.02    -0.11  -0.24  -0.04
    12   1    -0.20  -0.04   0.01     0.10   0.02  -0.02    -0.03  -0.02   0.02
    13   1     0.22   0.06  -0.01    -0.06  -0.02  -0.00     0.01   0.02   0.01
    14   1     0.22   0.29  -0.10    -0.30   0.59  -0.50     0.57   0.04   0.16
    15   6     0.02  -0.00   0.01    -0.03   0.06   0.03     0.05  -0.01  -0.01
    16   1    -0.11   0.55   0.12     0.01   0.28   0.04    -0.08   0.06  -0.00
    17   1    -0.10   0.44   0.09     0.05  -0.15  -0.05     0.00   0.09   0.04
    18   1    -0.29   0.06   0.11     0.17   0.01  -0.03     0.33  -0.02  -0.10
    19   1    -0.08   0.01   0.03     0.19  -0.02  -0.06     0.27  -0.05  -0.07
    20   1    -0.08   0.02  -0.03     0.07  -0.08   0.13    -0.17  -0.02  -0.05
    21   1     0.01   0.02  -0.06    -0.06  -0.07  -0.13     0.04  -0.04   0.05
    22   1    -0.09   0.04  -0.05     0.06  -0.01  -0.13    -0.11   0.07   0.06
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1409.0603              1484.0609              1492.4870
 Red. masses --      1.2192                 1.1113                 1.3594
 Frc consts  --      1.4262                 1.4421                 1.7841
 IR Inten    --      4.2781                 1.1644                 8.7316
 RamAct Fr= 1--      0.9922                13.8762                 3.4375
  Dep-P Fr= 1--      0.5955                 0.5462                 0.5657
  Dep-U Fr= 1--      0.7465                 0.7065                 0.7226
 Alpha2 Fr= 1--      0.0028                 0.0542                 0.0120
 Beta2  Fr= 1--      0.1234                 1.6339                 0.4140
 AlphaG Fr= 1--     -0.0101                -0.0410                -0.0220
 Gamma2 Fr= 1--      0.0632                 0.1965                -2.6900
 Delta2 Fr= 1--      0.1700                 1.0967                 2.6912
 Raman1 Fr= 1--       3.969                 55.505                 13.750
 ROA1   Fr= 1--      11.502                 53.962               -172.123
 CID1   Fr= 1--       2.898                  0.972                -12.518
 Raman2 Fr= 1--       1.481                 19.607                  4.968
 ROA2   Fr= 1--       0.156                 -4.056                -86.090
 CID2   Fr= 1--       0.105                 -0.207                -17.329
 Raman3 Fr= 1--       2.963                 39.214                  9.936
 ROA3   Fr= 1--      11.502                 53.962               -172.123
 CID3   Fr= 1--       3.882                  1.376                -17.323
 RC180  Fr= 1--       0.493                  0.413                  0.445
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.01   0.01   0.00     0.08  -0.04  -0.02
     2   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.05  -0.06  -0.01
     3   6     0.01   0.00   0.00    -0.02  -0.01   0.00    -0.00   0.05   0.01
     4   6     0.01  -0.00  -0.00     0.02  -0.01  -0.00    -0.04  -0.04  -0.01
     5   6     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.07  -0.01  -0.01
     6   6    -0.01   0.00   0.00    -0.01  -0.02  -0.00    -0.02   0.04   0.01
     7   6    -0.01   0.00   0.01    -0.00   0.01  -0.00    -0.01  -0.00   0.00
     8   6     0.01  -0.02  -0.01     0.04   0.01  -0.02    -0.00  -0.00   0.00
     9   6     0.00   0.01   0.00    -0.00  -0.06  -0.03    -0.02  -0.02  -0.00
    10   1    -0.03   0.02   0.01     0.06  -0.05  -0.02    -0.20   0.25   0.07
    11   1     0.01   0.02   0.00     0.00  -0.04  -0.01     0.05   0.29   0.06
    12   1    -0.05  -0.01  -0.00     0.08   0.01  -0.01    -0.05   0.05   0.02
    13   1     0.01   0.01   0.00     0.07   0.00  -0.00     0.02   0.06   0.01
    14   1     0.02   0.01   0.01    -0.01  -0.01   0.01    -0.01   0.01  -0.01
    15   6    -0.05   0.06  -0.11    -0.00   0.01   0.01    -0.04  -0.03   0.00
    16   1    -0.05   0.06   0.01    -0.38  -0.07  -0.04     0.04  -0.00   0.00
    17   1    -0.03   0.04   0.05    -0.11  -0.10   0.36     0.01   0.02  -0.04
    18   1    -0.02  -0.01  -0.02     0.10   0.23   0.48     0.09   0.08   0.15
    19   1    -0.00  -0.03   0.01    -0.03   0.53  -0.11     0.02   0.17  -0.04
    20   1     0.28  -0.40   0.28    -0.08   0.05  -0.04     0.52   0.27  -0.07
    21   1    -0.00  -0.25   0.51    -0.03  -0.18  -0.05     0.04   0.22   0.38
    22   1     0.34  -0.04   0.45     0.15  -0.06  -0.01    -0.02  -0.07  -0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1496.6105              1500.8527              1503.6563
 Red. masses --      1.2529                 1.2414                 1.1328
 Frc consts  --      1.6534                 1.6475                 1.5091
 IR Inten    --      3.5788                 5.7392                 1.6650
 RamAct Fr= 1--     10.4246                 2.5024                 6.2433
  Dep-P Fr= 1--      0.6953                 0.4803                 0.3561
  Dep-U Fr= 1--      0.8203                 0.6489                 0.5252
 Alpha2 Fr= 1--      0.0100                 0.0135                 0.0537
 Beta2  Fr= 1--      1.4252                 0.2706                 0.5465
 AlphaG Fr= 1--      0.0203                -0.0252                -0.0556
 Gamma2 Fr= 1--      0.0235                 2.0537                 1.0849
 Delta2 Fr= 1--     -0.4968                 0.0835                -4.0674
 Raman1 Fr= 1--      41.698                 10.010                 24.973
 ROA1   Fr= 1--     -13.646                199.833                -26.010
 CID1   Fr= 1--      -0.327                 19.964                 -1.042
 Raman2 Fr= 1--      17.102                  3.247                  6.558
 ROA2   Fr= 1--       4.538                 48.622                 58.576
 CID2   Fr= 1--       0.265                 14.972                  8.932
 Raman3 Fr= 1--      34.205                  6.495                 13.116
 ROA3   Fr= 1--     -13.646                199.833                -26.010
 CID3   Fr= 1--      -0.399                 30.767                 -1.983
 RC180  Fr= 1--       0.641                  0.298                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.01    -0.06   0.01   0.01     0.03  -0.02  -0.01
     2   6     0.05   0.06   0.01     0.03   0.06   0.01    -0.02  -0.02  -0.00
     3   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     4   6     0.05   0.02   0.00     0.03   0.04   0.01    -0.02  -0.01  -0.00
     5   6    -0.04   0.02   0.01    -0.05  -0.01   0.00     0.03  -0.00  -0.01
     6   6    -0.01  -0.04  -0.01     0.03  -0.03  -0.01    -0.00   0.02   0.00
     7   6    -0.01  -0.02  -0.00    -0.04  -0.00   0.01     0.01   0.02   0.00
     8   6    -0.02  -0.00   0.01    -0.02  -0.01   0.01    -0.06  -0.02   0.03
     9   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.01  -0.04  -0.01
    10   1     0.15  -0.19  -0.06     0.09  -0.16  -0.04    -0.07   0.09   0.03
    11   1    -0.03  -0.23  -0.04    -0.06  -0.25  -0.05     0.01   0.09   0.02
    12   1     0.08  -0.03  -0.01    -0.05  -0.05  -0.01    -0.02   0.02   0.00
    13   1     0.03  -0.04  -0.01    -0.08  -0.06  -0.01    -0.01   0.02   0.01
    14   1     0.02   0.04  -0.04     0.10  -0.00   0.05    -0.02  -0.04   0.04
    15   6    -0.00  -0.03  -0.03    -0.03   0.01   0.02     0.01   0.02  -0.01
    16   1     0.18   0.03   0.02     0.23   0.06   0.03     0.50   0.10   0.05
    17   1     0.05   0.05  -0.17     0.06   0.09  -0.21     0.13   0.13  -0.48
    18   1     0.02   0.09   0.22    -0.01   0.00   0.01     0.09   0.14   0.30
    19   1    -0.02   0.24  -0.05     0.00   0.01   0.00    -0.00   0.33  -0.07
    20   1     0.33  -0.15   0.14     0.18   0.38  -0.19    -0.27  -0.12   0.02
    21   1     0.08   0.52   0.22    -0.03  -0.34   0.21    -0.03  -0.17  -0.18
    22   1    -0.40   0.17   0.04     0.40  -0.24  -0.37     0.08   0.01   0.20
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1517.2297              1628.6253              1650.3698
 Red. masses --      2.3418                 6.1958                 6.3413
 Frc consts  --      3.1762                 9.6826                10.1764
 IR Inten    --     17.5775                 0.8507                 0.8250
 RamAct Fr= 1--      2.2447                16.4400                28.7565
  Dep-P Fr= 1--      0.5415                 0.6293                 0.7354
  Dep-U Fr= 1--      0.7025                 0.7725                 0.8475
 Alpha2 Fr= 1--      0.0090                 0.0361                 0.0072
 Beta2  Fr= 1--      0.2628                 2.1166                 4.0621
 AlphaG Fr= 1--     -0.0372                -0.0923                -0.0012
 Gamma2 Fr= 1--     -2.6450                 0.8018                -0.5123
 Delta2 Fr= 1--      0.5056                -1.4631                 1.5081
 Raman1 Fr= 1--       8.979                 65.760                115.026
 ROA1   Fr= 1--    -237.735                 30.149                 -0.922
 CID1   Fr= 1--     -26.477                  0.458                 -0.008
 Raman2 Fr= 1--       3.154                 25.400                 48.745
 ROA2   Fr= 1--     -67.524                 30.947                -24.360
 CID2   Fr= 1--     -21.409                  1.218                 -0.500
 Raman3 Fr= 1--       6.308                 50.799                 97.490
 ROA3   Fr= 1--    -237.735                 30.149                 -0.922
 CID3   Fr= 1--     -37.688                  0.594                 -0.009
 RC180  Fr= 1--       0.405                  0.545                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07  -0.01     0.15  -0.29  -0.08     0.19  -0.02  -0.02
     2   6    -0.06   0.05   0.02     0.00   0.32   0.07    -0.16  -0.11  -0.01
     3   6     0.16   0.04  -0.01    -0.00   0.16   0.03    -0.34  -0.09   0.01
     4   6    -0.11   0.11   0.04    -0.03  -0.30  -0.06     0.25   0.14   0.01
     5   6    -0.05  -0.16  -0.03    -0.17   0.25   0.07    -0.28  -0.00   0.03
     6   6     0.16   0.04  -0.01     0.08  -0.14  -0.04     0.34   0.08  -0.02
     7   6     0.03  -0.03  -0.01     0.02   0.03   0.00    -0.04  -0.02   0.00
     8   6     0.01   0.00  -0.01     0.02   0.00   0.00     0.00  -0.01  -0.00
     9   6     0.00   0.01  -0.00     0.03  -0.01  -0.01     0.04   0.00  -0.00
    10   1    -0.21   0.10   0.04    -0.36   0.23   0.09    -0.02   0.21   0.05
    11   1    -0.14  -0.19  -0.03    -0.22  -0.37  -0.06    -0.07   0.20   0.05
    12   1    -0.52  -0.12   0.03    -0.12   0.15   0.04     0.44   0.09  -0.02
    13   1    -0.51  -0.13   0.02    -0.05  -0.19  -0.04    -0.43  -0.12   0.02
    14   1     0.10   0.02  -0.02    -0.16  -0.02  -0.01     0.07   0.03  -0.01
    15   6     0.01  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
    16   1    -0.13  -0.02  -0.02    -0.02  -0.01   0.00    -0.01   0.03   0.01
    17   1    -0.04  -0.05   0.13     0.02   0.00  -0.00    -0.01   0.03   0.01
    18   1     0.14   0.11   0.14    -0.16  -0.06  -0.06    -0.07   0.00   0.02
    19   1     0.06   0.18  -0.04    -0.06  -0.08   0.03    -0.01   0.02  -0.00
    20   1    -0.03  -0.09   0.05    -0.01  -0.01   0.01     0.04  -0.00   0.00
    21   1     0.02   0.12  -0.05    -0.01  -0.00  -0.02     0.00  -0.01   0.06
    22   1    -0.13   0.07   0.07     0.01  -0.00   0.03     0.01  -0.00  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3017.7845              3026.5037              3031.6622
 Red. masses --      1.0695                 1.0359                 1.0798
 Frc consts  --      5.7387                 5.5903                 5.8471
 IR Inten    --     26.6820                31.5739                 7.1691
 RamAct Fr= 1--    146.5026               239.2568                74.2225
  Dep-P Fr= 1--      0.2291                 0.0195                 0.6005
  Dep-U Fr= 1--      0.3728                 0.0382                 0.7504
 Alpha2 Fr= 1--      1.8395                 5.0801                 0.2054
 Beta2  Fr= 1--      9.1035                 1.5221                 9.2828
 AlphaG Fr= 1--     -0.7267                 0.0749                -0.6426
 Gamma2 Fr= 1--     -3.9729                -2.7595                -4.1178
 Delta2 Fr= 1--     -8.3067                -0.0572                -4.5168
 Raman1 Fr= 1--     586.010                957.027                296.890
 ROA1   Fr= 1--    -647.210               -266.740               -539.848
 CID1   Fr= 1--      -1.104                 -0.279                 -1.818
 Raman2 Fr= 1--     109.242                 18.265                111.394
 ROA2   Fr= 1--     -28.895                -65.769                -62.694
 CID2   Fr= 1--      -0.265                 -3.601                 -0.563
 Raman3 Fr= 1--     218.483                 36.529                222.788
 ROA3   Fr= 1--    -647.210               -266.740               -539.848
 CID3   Fr= 1--      -2.962                 -7.302                 -2.423
 RC180  Fr= 1--      -0.254                 -0.924                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.01    -0.00   0.00   0.01     0.02  -0.04  -0.06
     8   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.01  -0.01   0.02
     9   6    -0.02  -0.03  -0.06    -0.00  -0.01  -0.01     0.00   0.01   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    13   1     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.02   0.05   0.08     0.02  -0.05  -0.08    -0.19   0.48   0.71
    15   6     0.00  -0.00   0.01    -0.02   0.01  -0.04    -0.01   0.01   0.00
    16   1     0.00   0.02  -0.10     0.00  -0.01   0.06    -0.00   0.08  -0.36
    17   1    -0.06  -0.01  -0.02    -0.07  -0.01  -0.03     0.15   0.02   0.07
    18   1    -0.03   0.20  -0.12    -0.01   0.05  -0.03     0.01  -0.08   0.04
    19   1     0.24   0.15   0.90     0.04   0.02   0.15    -0.02  -0.01  -0.08
    20   1     0.02  -0.07  -0.10    -0.11   0.33   0.49     0.01  -0.02  -0.03
    21   1    -0.08   0.01   0.01     0.58  -0.06  -0.07     0.16  -0.01  -0.02
    22   1     0.03   0.07  -0.01    -0.20  -0.45   0.06    -0.06  -0.12   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3048.9135              3071.0655              3089.6775
 Red. masses --      1.0680                 1.0892                 1.1042
 Frc consts  --      5.8492                 6.0525                 6.2104
 IR Inten    --     39.8312                32.9652                27.1411
 RamAct Fr= 1--    188.7644               176.7838                73.7981
  Dep-P Fr= 1--      0.1281                 0.1851                 0.6839
  Dep-U Fr= 1--      0.2272                 0.3123                 0.8123
 Alpha2 Fr= 1--      3.0831                 2.4970                 0.0858
 Beta2  Fr= 1--      7.1466                 9.2026                 9.9907
 AlphaG Fr= 1--     -2.6024                 2.3920                -0.0852
 Gamma2 Fr= 1--      2.0911                18.7760               -19.2830
 Delta2 Fr= 1--     14.5693                 9.6897               -14.9664
 Raman1 Fr= 1--     755.057                707.135                295.192
 ROA1   Fr= 1--     666.961               2112.569              -2330.092
 CID1   Fr= 1--       0.883                  2.988                 -7.893
 Raman2 Fr= 1--      85.759                110.431                119.889
 ROA2   Fr= 1--     -66.368                373.108               -343.061
 CID2   Fr= 1--      -0.774                  3.379                 -2.862
 Raman3 Fr= 1--     171.518                220.862                239.777
 ROA3   Fr= 1--     666.961               2112.569              -2330.092
 CID3   Fr= 1--       3.889                  9.565                 -9.718
 RC180  Fr= 1--      -0.546                 -0.375                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.01  -0.02  -0.03    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.04   0.02  -0.05    -0.03  -0.01  -0.00    -0.05   0.00  -0.06
     9   6     0.00  -0.02   0.01     0.01  -0.06   0.05    -0.00   0.01  -0.02
    10   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
    14   1    -0.08   0.22   0.32     0.01  -0.02  -0.02    -0.01   0.01   0.02
    15   6    -0.00   0.01   0.01     0.00  -0.00  -0.00     0.02   0.03   0.00
    16   1     0.00  -0.16   0.72    -0.00   0.02  -0.09    -0.01  -0.11   0.48
    17   1    -0.42  -0.06  -0.18     0.34   0.05   0.14     0.66   0.09   0.25
    18   1    -0.02   0.24  -0.12    -0.09   0.80  -0.40     0.02  -0.19   0.09
    19   1    -0.02  -0.02  -0.05    -0.05  -0.05  -0.17     0.04   0.03   0.14
    20   1     0.02  -0.06  -0.09    -0.01   0.03   0.04     0.03  -0.08  -0.13
    21   1     0.04  -0.00  -0.00    -0.04   0.00   0.00    -0.13   0.02   0.02
    22   1    -0.01  -0.00   0.00    -0.00  -0.01   0.00    -0.15  -0.34   0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3089.9155              3095.2437              3159.2040
 Red. masses --      1.1019                 1.1020                 1.0859
 Frc consts  --      6.1986                 6.2202                 6.3854
 IR Inten    --     46.9860                37.5166                 8.1638
 RamAct Fr= 1--    130.2168               100.5528                18.6307
  Dep-P Fr= 1--      0.4680                 0.7490                 0.7042
  Dep-U Fr= 1--      0.6376                 0.8565                 0.8264
 Alpha2 Fr= 1--      0.7411                 0.0017                 0.0148
 Beta2  Fr= 1--     13.8382                14.3538                 2.5662
 AlphaG Fr= 1--      0.3574                -0.0010                 0.0371
 Gamma2 Fr= 1--     17.1807                -6.9821                 1.1273
 Delta2 Fr= 1--     10.7380                -4.7089                 0.6987
 Raman1 Fr= 1--     520.867                402.211                 74.523
 ROA1   Fr= 1--    1992.967               -820.962                130.583
 CID1   Fr= 1--       3.826                 -2.041                  1.752
 Raman2 Fr= 1--     166.059                172.246                 30.794
 ROA2   Fr= 1--     326.433               -129.899                 21.467
 CID2   Fr= 1--       1.966                 -0.754                  0.697
 Raman3 Fr= 1--     332.118                344.492                 61.588
 ROA3   Fr= 1--    1992.967               -820.962                130.583
 CID3   Fr= 1--       6.001                 -2.383                  2.120
 RC180  Fr= 1--       0.275                  0.713                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03   0.03   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03   0.01   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.05  -0.01
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.04  -0.01
     7   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.03   0.00  -0.03     0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00   0.01  -0.01     0.00  -0.00   0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.33  -0.31  -0.03
    11   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.36  -0.10  -0.06
    12   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.14   0.64   0.15
    13   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.10   0.42   0.10
    14   1     0.04  -0.10  -0.14    -0.02   0.06   0.09    -0.00   0.00   0.01
    15   6    -0.07   0.03   0.05    -0.04  -0.07  -0.01    -0.00  -0.00  -0.00
    16   1     0.00   0.01  -0.03    -0.01  -0.05   0.22    -0.00   0.00  -0.00
    17   1     0.06   0.01   0.02     0.31   0.05   0.12    -0.00  -0.00  -0.00
    18   1    -0.00   0.03  -0.02     0.01  -0.08   0.04    -0.00   0.01  -0.00
    19   1    -0.01  -0.00  -0.02     0.02   0.01   0.07     0.00   0.00   0.00
    20   1     0.11  -0.37  -0.55    -0.08   0.19   0.30    -0.00   0.00   0.00
    21   1     0.71  -0.06  -0.07     0.29  -0.05  -0.04     0.00  -0.00  -0.00
    22   1     0.01   0.06   0.01     0.31   0.69  -0.10     0.00   0.01  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3164.0522              3176.7425              3190.6733
 Red. masses --      1.0884                 1.0918                 1.0965
 Frc consts  --      6.4197                 6.4914                 6.5769
 IR Inten    --      1.6939                26.1423                22.3365
 RamAct Fr= 1--    163.4768                75.3597               300.5272
  Dep-P Fr= 1--      0.5192                 0.7481                 0.1179
  Dep-U Fr= 1--      0.6835                 0.8559                 0.2109
 Alpha2 Fr= 1--      0.7358                 0.0024                 5.0351
 Beta2  Fr= 1--     18.6239                10.7501                10.5643
 AlphaG Fr= 1--      0.1838                -0.0125                 0.4745
 Gamma2 Fr= 1--     -0.5187                 0.8644                 1.4680
 Delta2 Fr= 1--     -0.8493                -3.7029                 3.5018
 Raman1 Fr= 1--     653.907                301.439               1202.109
 ROA1   Fr= 1--     -76.975                -35.513                252.989
 CID1   Fr= 1--      -0.118                 -0.118                  0.210
 Raman2 Fr= 1--     223.487                129.001                126.771
 ROA2   Fr= 1--      -5.654                 50.369                  7.218
 CID2   Fr= 1--      -0.025                  0.390                  0.057
 Raman3 Fr= 1--     446.974                258.001                253.542
 ROA3   Fr= 1--     -76.975                -35.513                252.989
 CID3   Fr= 1--      -0.172                 -0.138                  0.998
 RC180  Fr= 1--       0.367                  0.712                 -0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04   0.03   0.00    -0.04  -0.04  -0.00
     2   6    -0.03   0.01   0.00    -0.05   0.01   0.01    -0.06   0.02   0.01
     3   6    -0.01   0.05   0.01    -0.01   0.03   0.01     0.01  -0.02  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.06  -0.01    -0.01   0.04   0.01    -0.00   0.02   0.01
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   1     0.10   0.10   0.01    -0.43  -0.39  -0.04     0.48   0.45   0.05
    11   1     0.32  -0.09  -0.05     0.52  -0.14  -0.08     0.64  -0.18  -0.10
    12   1     0.12  -0.54  -0.13     0.09  -0.38  -0.09    -0.05   0.22   0.05
    13   1    -0.17   0.69   0.16     0.10  -0.43  -0.10     0.06  -0.24  -0.06
    14   1     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Molecular mass:   132.09390 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   725.472361508.552942023.28571
           X            0.99997  -0.00668   0.00349
           Y            0.00669   0.99997  -0.00341
           Z           -0.00346   0.00343   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11939     0.05742     0.04281
 Rotational constants (GHZ):           2.48768     1.19634     0.89199
 Zero-point vibrational energy     504546.9 (Joules/Mol)
                                  120.58960 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    152.56   189.99   305.52   354.23   418.11
          (Kelvin)            525.67   594.26   642.83   771.30   799.00
                              862.74   962.02  1063.81  1098.12  1127.99
                             1133.64  1226.75  1265.71  1307.43  1347.70
                             1384.30  1386.25  1402.08  1487.94  1511.86
                             1566.94  1591.88  1611.17  1701.02  1702.54
                             1713.97  1752.57  1771.63  1851.47  1872.65
                             1906.86  1939.92  1947.42  1960.51  2027.32
                             2135.23  2147.36  2153.29  2159.39  2163.43
                             2182.96  2343.23  2374.51  4341.92  4354.46
                             4361.89  4386.71  4418.58  4445.36  4445.70
                             4453.37  4545.39  4552.37  4570.62  4590.67
 
 Zero-point correction=                           0.192172 (Hartree/Particle)
 Thermal correction to Energy=                    0.200469
 Thermal correction to Enthalpy=                  0.201413
 Thermal correction to Gibbs Free Energy=         0.159320
 Sum of electronic and zero-point Energies=           -388.291447
 Sum of electronic and thermal Energies=              -388.283150
 Sum of electronic and thermal Enthalpies=            -388.282206
 Sum of electronic and thermal Free Energies=         -388.324299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  125.796             33.754             88.593
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.548
 Rotational               0.889              2.981             29.183
 Vibrational            124.019             27.792             18.862
 Vibration     1          0.605              1.944              3.340
 Vibration     2          0.612              1.921              2.916
 Vibration     3          0.643              1.822              2.023
 Vibration     4          0.661              1.769              1.758
 Vibration     5          0.687              1.691              1.470
 Vibration     6          0.739              1.544              1.099
 Vibration     7          0.777              1.442              0.916
 Vibration     8          0.806              1.368              0.806
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.911              1.128              0.533
 Vibration    11          0.958              1.033              0.450
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.522369D-73        -73.282023       -168.738093
 Total V=0       0.129054D+16         15.110772         34.793839
 Vib (Bot)       0.164337D-86        -86.784266       -199.828156
 Vib (Bot)    1  0.193311D+01          0.286256          0.659129
 Vib (Bot)    2  0.154301D+01          0.188369          0.433736
 Vib (Bot)    3  0.934438D+00         -0.029449         -0.067810
 Vib (Bot)    4  0.794157D+00         -0.100094         -0.230474
 Vib (Bot)    5  0.657839D+00         -0.181881         -0.418796
 Vib (Bot)    6  0.499876D+00         -0.301137         -0.693394
 Vib (Bot)    7  0.427378D+00         -0.369188         -0.850086
 Vib (Bot)    8  0.384823D+00         -0.414739         -0.954973
 Vib (Bot)    9  0.296636D+00         -0.527776         -1.215248
 Vib (Bot)   10  0.281144D+00         -0.551072         -1.268890
 Vib (Bot)   11  0.249113D+00         -0.603604         -1.389850
 Vib (V=0)       0.406003D+02          1.608529          3.703776
 Vib (V=0)    1  0.249672D+01          0.397370          0.914979
 Vib (V=0)    2  0.212200D+01          0.326745          0.752359
 Vib (V=0)    3  0.155980D+01          0.193069          0.444557
 Vib (V=0)    4  0.143845D+01          0.157894          0.363565
 Vib (V=0)    5  0.132629D+01          0.122638          0.282384
 Vib (V=0)    6  0.120702D+01          0.081714          0.188154
 Vib (V=0)    7  0.115776D+01          0.063620          0.146490
 Vib (V=0)    8  0.113094D+01          0.053441          0.123051
 Vib (V=0)    9  0.108137D+01          0.033975          0.078230
 Vib (V=0)   10  0.107362D+01          0.030851          0.071038
 Vib (V=0)   11  0.105862D+01          0.024740          0.056967
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.596730D+08          7.775778         17.904391
 Rotational      0.532678D+06          5.726465         13.185673
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 333333333333                                                     11111111111111111111 11111                                         
 111100000000                                                     66555444433333222111 11000999998 87777  6  655   44 3  2 22  11    
 976599974321                                                     52100998065420831988 20853766308 58863  6  053   41 6  9 41  30    
 174950019278                                                     09741724934852718132 06914432790 38439  9  056   73 5  1 62  26    
 
 XXXXXXXXXXXX                                                     XXXXXXXXXXXXXXXXXXXX XXXXXXXXXX  XXXXX  X  XXX   XX X  X  X  X     
 XX XXXXXXXXX                                                       X XXX XX                         XXX           X                 
 XX XXXXXXXXX                                                       X   X                             XX           X                 
 XX  XXXXX XX                                                       X   X                             XX                             
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                       X                                 X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
 XX  XXXXX XX                                                                                         X                              
  X  XXXXX XX                                                                                         X                              
     XXXXX X                                                                                          X                              
     XX XX X                                                                                          X                              
     XX XX                                                                                            X                              
     XX  X                                                                                            X                              
     XX  X                                                                                            X                              
      X  X                                                                                            X                              
      X                                                                                               X                              
      X                                                                                               X                              
      X                                                                                                                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000176   -0.000007274    0.000004377
      2        6           0.000008375   -0.000001666    0.000004004
      3        6          -0.000003316   -0.000002474    0.000002029
      4        6          -0.000006746    0.000019656   -0.000006706
      5        6          -0.000003354    0.000011821   -0.000011281
      6        6          -0.000003151   -0.000005708    0.000001043
      7        6          -0.000000539    0.000005637   -0.000015301
      8        6           0.000001566    0.000001599    0.000009947
      9        6           0.000004447   -0.000008549    0.000008247
     10        1           0.000000267    0.000000763    0.000000439
     11        1           0.000000010   -0.000000731   -0.000000503
     12        1          -0.000000227   -0.000001079   -0.000000359
     13        1          -0.000000236   -0.000000580   -0.000001319
     14        1           0.000000999   -0.000000119    0.000000321
     15        6           0.000000368   -0.000001152    0.000002625
     16        1           0.000006670    0.000001054    0.000000142
     17        1          -0.000005114   -0.000007381   -0.000000162
     18        1           0.000000950    0.000000875    0.000002638
     19        1          -0.000005898   -0.000002005   -0.000005927
     20        1           0.000003422   -0.000004208    0.000005303
     21        1           0.000003465    0.000001757    0.000001758
     22        1          -0.000002134   -0.000000236   -0.000001314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019656 RMS     0.000005248
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150487D+03  0.166760D+01 -0.223250D+01
      2   0.166760D+01  0.127173D+03  0.530479D+01
      3  -0.223250D+01  0.530479D+01  0.853188D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.310085D+01 -0.263744D+01  0.288911D+01
      2   0.107883D+02 -0.152659D+02  0.124407D+02
      3   0.121062D+01  0.360354D+02  0.121724D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.845887D+02 -0.133060D+02  0.825865D+01
      2   0.401211D+02  0.563945D+01 -0.546603D+01
      3   0.444676D+02  0.766650D+01 -0.279262D+01
      4  -0.232812D+02 -0.384326D+02 -0.321582D+02
      5   0.227562D+02 -0.324106D+02  0.354403D+02
      6  -0.142767D+02  0.758200D+01 -0.308567D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.503318D+00 -0.171407D+01 -0.798315D+00 -0.601663D+01  0.478378D+00
      2  -0.171407D+01 -0.282061D+01 -0.762703D+00  0.478378D+00 -0.235965D+01
      3  -0.798315D+00 -0.762703D+00 -0.245837D+01  0.118351D+01  0.108914D+01
                 6             7             8             9            10 
      1   0.118351D+01 -0.199634D+01  0.824513D+00 -0.409790D+01 -0.520052D+01
      2   0.108914D+01  0.824513D+00  0.151466D+01 -0.331342D+01  0.154322D+01
      3  -0.241843D+01 -0.409790D+01 -0.331342D+01 -0.988592D+00 -0.521682D+00
                11            12            13            14            15 
      1   0.154322D+01 -0.521682D+00  0.313861D+01  0.236748D+01  0.146082D+01
      2  -0.299035D+01  0.707376D-01  0.236748D+01  0.203471D+01 -0.682440D+00
      3   0.707376D-01 -0.303917D+01  0.146082D+01 -0.682440D+00  0.801892D+00
                16            17            18            19            20 
      1   0.274519D+00  0.156629D+01 -0.534149D+01 -0.171135D+01  0.458654D+01
      2   0.156629D+01  0.320259D+00  0.121893D+01  0.458654D+01  0.138433D+01
      3  -0.534149D+01  0.121893D+01  0.186407D+01  0.669598D+00 -0.278041D+00
                21            22            23            24            25 
      1   0.669598D+00 -0.603307D+01  0.820066D+00 -0.214427D+00 -0.973982D+00
      2  -0.278041D+00  0.820066D+00 -0.231425D+01  0.113448D+01 -0.126668D+01
      3   0.830134D+00 -0.214427D+00  0.113448D+01 -0.200186D+01 -0.360524D+00
                26            27            28            29            30 
      1  -0.126668D+01 -0.360524D+00  0.157209D+02 -0.473597D+01 -0.197152D+00
      2   0.108770D+01 -0.368017D+01 -0.473597D+01  0.510851D+01  0.190943D+00
      3  -0.368017D+01 -0.281348D+01 -0.197152D+00  0.190943D+00  0.197648D+01
                31            32            33            34            35 
      1  -0.932375D+01 -0.185810D+01 -0.597175D+00 -0.162036D+01 -0.120450D+01
      2  -0.185810D+01 -0.582032D+00 -0.173220D-01 -0.120450D+01 -0.524524D+00
      3  -0.597175D+00 -0.173220D-01 -0.108256D+00  0.333529D+01 -0.155061D+01
                36            37            38            39            40 
      1   0.333529D+01  0.313394D+01  0.427675D+01  0.934032D+00  0.138683D+02
      2  -0.155061D+01  0.427675D+01  0.677919D+01  0.142504D+01  0.307619D+01
      3  -0.159267D+01  0.934032D+00  0.142504D+01  0.195328D+01  0.232257D+00
                41            42            43            44            45 
      1   0.307619D+01  0.232257D+00  0.302044D+01  0.217187D+00  0.230088D+01
      2   0.558560D+01 -0.375733D+00  0.217187D+00 -0.115171D+01  0.242807D+01
      3  -0.375733D+00  0.106778D+01  0.230088D+01  0.242807D+01  0.585097D+00
                46            47            48            49            50 
      1   0.163858D+01 -0.405729D+01 -0.470718D+00  0.552794D+01 -0.836595D+00
      2  -0.405729D+01 -0.277547D+01  0.370814D+00 -0.836595D+00  0.132312D+01
      3  -0.470718D+00  0.370814D+00  0.243368D+00  0.179452D+00 -0.965127D+00
                51            52            53            54            55 
      1   0.179452D+00  0.503516D+00  0.115016D+01 -0.181686D+01 -0.419940D+01
      2  -0.965127D+00  0.115016D+01 -0.808868D+00  0.363958D+01  0.359905D+01
      3   0.233102D+01 -0.181686D+01  0.363958D+01  0.242339D+01 -0.215686D+00
                56            57            58            59            60 
      1   0.359905D+01 -0.215686D+00  0.511256D+01 -0.492740D+01  0.749008D+00
      2  -0.331775D+01  0.931060D+00 -0.492740D+01 -0.175988D+01  0.183283D+01
      3   0.931060D+00 -0.259006D+01  0.749008D+00  0.183283D+01  0.364651D+01
                61            62            63            64            65 
      1  -0.283709D+01  0.138276D+01 -0.491620D+01 -0.675491D+01 -0.220382D+01
      2   0.138276D+01  0.620613D+00  0.489238D+01 -0.220382D+01  0.197317D+01
      3  -0.491620D+01  0.489238D+01  0.161450D+01 -0.235846D+01  0.192389D+00
                66            67            68            69            70 
      1  -0.235846D+01 -0.178681D+01  0.159736D+01  0.355908D+00 -0.428407D+01
      2   0.192389D+00  0.159736D+01  0.308965D+01 -0.138546D+01 -0.171966D+00
      3   0.623795D+00  0.355908D+00 -0.138546D+01 -0.148931D+01 -0.460292D+00
                71            72            73            74            75 
      1  -0.171966D+00 -0.460292D+00 -0.269768D+01 -0.947580D+00 -0.497556D+00
      2  -0.164861D+00 -0.255868D+01 -0.947580D+00 -0.235461D+01 -0.197751D+01
      3  -0.255868D+01  0.613594D+01 -0.497556D+00 -0.197751D+01 -0.192875D+01
                76            77            78            79            80 
      1  -0.111414D+01 -0.420885D+01 -0.154203D+01 -0.226588D+01 -0.308494D+01
      2  -0.420885D+01 -0.868057D+01  0.161771D+01 -0.308494D+01  0.159016D+01
      3  -0.154203D+01  0.161771D+01 -0.109986D+01 -0.359651D+01 -0.349302D+01
                81            82            83            84            85 
      1  -0.359651D+01 -0.749183D+01 -0.465794D+01 -0.393957D+00 -0.453551D+01
      2  -0.349302D+01 -0.465794D+01 -0.346698D+01 -0.253294D+00 -0.452965D+01
      3  -0.480592D+01 -0.393957D+00 -0.253294D+00 -0.537749D+00 -0.700384D+00
                86            87            88            89            90 
      1  -0.452965D+01 -0.700384D+00 -0.248354D+00 -0.527009D+00  0.426838D-01
      2  -0.503657D+01 -0.648067D+00 -0.527009D+00 -0.909703D+00 -0.144798D-01
      3  -0.648067D+00 -0.553075D+00  0.426838D-01 -0.144798D-01 -0.686120D-01
                91            92            93            94            95 
      1  -0.129423D+02  0.248569D+01  0.162080D+01  0.255399D+01 -0.212288D+01
      2   0.248569D+01 -0.113385D+01 -0.320875D+00 -0.212288D+01  0.102401D+01
      3   0.162080D+01 -0.320875D+00 -0.894806D+00 -0.701182D+00  0.344245D+00
                96            97            98            99           100 
      1  -0.701182D+00  0.166362D+01 -0.665808D+00 -0.851435D-01  0.505445D+00
      2   0.344245D+00 -0.665808D+00  0.257587D+00  0.680191D-01 -0.137342D+01
      3   0.303078D+00 -0.851435D-01  0.680191D-01  0.159911D+00 -0.342451D+00
               101           102           103           104           105 
      1  -0.137342D+01 -0.342451D+00 -0.864943D+00  0.758589D+00  0.165366D+00
      2   0.135852D+01  0.461887D+00  0.758589D+00 -0.100733D+02 -0.228299D+01
      3   0.461887D+00  0.217403D+00  0.165366D+00 -0.228299D+01 -0.127005D+01
               106           107           108           109           110 
      1  -0.301596D+00  0.455839D+00  0.280425D-01 -0.140715D+01  0.192155D+01
      2   0.455839D+00 -0.241263D+01 -0.576174D+00  0.192155D+01 -0.198661D+01
      3   0.280425D-01 -0.576174D+00 -0.310734D+00  0.490212D+00 -0.535270D+00
               111           112           113           114           115 
      1   0.490212D+00  0.167515D+01 -0.300403D+01 -0.687383D+00  0.487982D+00
      2  -0.535270D+00 -0.300403D+01  0.995214D+01  0.210687D+01 -0.845744D+00
      3  -0.361648D+00 -0.687383D+00  0.210687D+01  0.118897D+01 -0.257440D+00
               116           117           118           119           120 
      1  -0.845744D+00 -0.257440D+00  0.225808D+01 -0.154545D+01 -0.149246D+01
      2   0.216126D+01  0.495192D+00 -0.154545D+01  0.107386D+01  0.463062D+00
      3   0.495192D+00  0.320508D+00 -0.149246D+01  0.463062D+00  0.145640D+01
               121           122           123           124           125 
      1  -0.355997D+01  0.254227D+01  0.106486D+01 -0.266103D+01  0.139153D+01
      2   0.254227D+01 -0.328894D+01 -0.228946D+01  0.139153D+01 -0.254099D+01
      3   0.106486D+01 -0.228946D+01 -0.305367D+01  0.284020D+01 -0.311410D+01
               126           127           128           129           130 
      1   0.284020D+01 -0.939272D+01  0.203734D+01  0.666001D+00 -0.174206D+01
      2  -0.311410D+01  0.203734D+01  0.292260D+01 -0.139955D+01  0.339111D+01
      3  -0.553158D+01  0.666001D+00 -0.139955D+01  0.231981D+01 -0.155656D+01
               131           132           133           134           135 
      1   0.339111D+01 -0.155656D+01  0.639531D+01 -0.286470D+01  0.341479D+01
      2   0.357802D+01 -0.154108D+01 -0.286470D+01  0.227290D+00 -0.386018D+01
      3  -0.154108D+01 -0.343022D+01  0.341479D+01 -0.386018D+01 -0.158831D+01
               136           137           138           139           140 
      1   0.120425D+01  0.571652D+00 -0.101764D+01  0.535854D+00  0.428700D+00
      2   0.571652D+00 -0.148179D+00 -0.224824D+00  0.428700D+00  0.842825D+00
      3  -0.101764D+01 -0.224824D+00  0.173262D+00 -0.542385D+00 -0.123784D+01
               141           142           143           144           145 
      1  -0.542385D+00 -0.148525D+01 -0.637974D+00  0.232767D+01  0.112014D+02
      2  -0.123784D+01 -0.637974D+00 -0.190472D+01  0.262623D+01  0.220777D+01
      3   0.166309D+01  0.232767D+01  0.262623D+01 -0.894986D+01  0.930471D+00
               146           147           148           149           150 
      1   0.220777D+01  0.930471D+00  0.140997D+01  0.134741D+01  0.145782D-01
      2   0.135800D+01 -0.480111D-01  0.134741D+01  0.506183D+00  0.282299D+00
      3  -0.480111D-01  0.109815D+01  0.145782D-01  0.282299D+00  0.302442D+00
               151           152           153           154           155 
      1   0.346655D+01  0.644899D+00  0.155377D+01 -0.132438D+00  0.921445D+00
      2   0.644899D+00  0.658018D+00  0.551819D+00  0.921445D+00 -0.869933D+00
      3   0.155377D+01  0.551819D+00  0.291680D-01 -0.359881D+00  0.207840D+00
               156           157           158           159           160 
      1  -0.359881D+00  0.203603D+01  0.214681D+01 -0.238478D+00 -0.376979D+00
      2   0.207840D+00  0.214681D+01  0.111949D+02 -0.199639D+01 -0.149484D+00
      3   0.100680D+00 -0.238478D+00 -0.199639D+01  0.124574D+01  0.807081D+00
               161           162           163           164           165 
      1  -0.149484D+00  0.807081D+00  0.252581D+01  0.131737D+01  0.164952D+01
      2  -0.356887D+01  0.227548D+01  0.131737D+01  0.926194D+00  0.950316D+00
      3   0.227548D+01 -0.621852D+00  0.164952D+01  0.950316D+00  0.153270D+01
               166           167           168           169           170 
      1   0.897915D+00  0.184295D+01  0.792080D+00  0.442404D+01  0.291339D+01
      2   0.184295D+01  0.311092D+01  0.154641D+01  0.291339D+01  0.343970D+01
      3   0.792080D+00  0.154641D+01  0.120666D+01  0.316451D+01  0.374109D+01
               171           172           173           174           175 
      1   0.316451D+01  0.500924D+00  0.270451D+00  0.590914D+00  0.102768D+01
      2   0.374109D+01  0.270451D+00 -0.580836D+00  0.126788D+00 -0.414484D+00
      3   0.695212D+01  0.590914D+00  0.126788D+00 -0.994224D+00  0.487375D+00
               176           177           178           179           180 
      1  -0.414484D+00  0.487375D+00  0.962632D+00 -0.218689D-01  0.416436D+00
      2   0.968828D+00  0.117636D+01 -0.218689D-01  0.150689D+01  0.117355D+01
      3   0.117636D+01  0.280978D+01  0.416436D+00  0.117355D+01  0.611589D+01
               181           182           183           184           185 
      1   0.139063D+02 -0.348082D+01  0.107196D+01 -0.135719D+01  0.142306D+01
      2  -0.348082D+01  0.178865D+01 -0.442655D+00  0.142306D+01 -0.124956D+01
      3   0.107196D+01 -0.442655D+00  0.125612D+01  0.806047D-01  0.231187D+00
               186           187           188           189           190 
      1   0.806047D-01 -0.177642D+01  0.616728D+00  0.954962D+00 -0.161984D+00
      2   0.231187D+00  0.616728D+00 -0.483154D+00  0.333536D-01 -0.102245D+01
      3   0.196794D+00  0.954962D+00  0.333536D-01  0.341492D-01  0.424516D-01
               191           192           193           194           195 
      1  -0.102245D+01  0.424516D-01 -0.144995D+01 -0.318389D+00  0.141873D-01
      2  -0.222786D+01  0.851862D+00 -0.318389D+00 -0.786618D+01  0.206039D+01
      3   0.851862D+00 -0.976804D+00  0.141873D-01  0.206039D+01 -0.133901D+01
               196           197           198 
      1  -0.371269D+00  0.277377D+00 -0.253956D+00
      2   0.277377D+00  0.108590D+01 -0.982885D+00
      3  -0.253956D+00 -0.982885D+00  0.103686D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.226385D+01  0.865359D+00 -0.472027D+01  0.290760D+01 -0.542964D+00
      2   0.272322D+01  0.195401D+01  0.475938D+01 -0.264789D+01 -0.318309D+01
      3  -0.656373D+01 -0.116161D+02 -0.121649D+01  0.868155D+01 -0.384883D+01
                 6             7             8             9            10 
      1  -0.878164D+00 -0.839600D+01  0.501330D+01  0.230001D+01  0.674626D+00
      2   0.774256D+01 -0.538033D-01  0.112888D+02  0.391785D+01 -0.948409D+00
      3   0.167896D+01  0.289204D+01  0.362504D+01 -0.491143D+01  0.541856D+01
                11            12            13            14            15 
      1   0.298697D+00  0.239788D+01 -0.381040D+00 -0.291773D+01  0.277436D+01
      2  -0.183527D+00  0.901532D+01 -0.398408D+01  0.115556D+01 -0.317398D+01
      3  -0.992107D+01 -0.272055D+00  0.120692D+02  0.395386D+01 -0.215846D+01
                16            17            18            19            20 
      1   0.487430D+01  0.112137D+02  0.234444D+01  0.969269D+00 -0.117807D+01
      2   0.794383D+01 -0.550686D+01 -0.486174D+01 -0.512015D+01  0.314588D+01
      3   0.379734D+01 -0.145077D+01  0.212636D+01  0.955863D+01 -0.593771D+01
                21            22            23            24            25 
      1   0.360350D+01 -0.881851D+00  0.123890D+01 -0.387381D+01  0.375332D+01
      2  -0.193315D+01  0.167139D+01  0.725435D+00  0.244862D+01 -0.144834D+02
      3  -0.380051D+01  0.629881D+01 -0.776100D+01  0.167894D+00 -0.365102D+01
                26            27            28            29            30 
      1   0.431824D+00 -0.160758D+01  0.309486D+00  0.810935D-02  0.203304D+01
      2   0.312452D+01  0.380093D+01  0.263824D+01 -0.393550D+01 -0.163267D+01
      3   0.979038D+00 -0.569027D+01 -0.611845D+01  0.139530D+02  0.206829D+01
                31            32            33            34            35 
      1   0.407421D+00 -0.349661D+01 -0.129736D+01  0.388326D+01  0.101783D+02
      2  -0.214768D+01  0.762088D+00  0.256292D+00 -0.148459D+02 -0.409822D+00
      3   0.121438D+02 -0.110670D+02  0.167821D+01 -0.473390D+00 -0.174442D+01
                36            37            38            39            40 
      1   0.758447D+00 -0.214807D+01 -0.249781D+00 -0.162521D+01  0.538265D+00
      2   0.791340D+00 -0.122790D-01  0.137706D+00 -0.169575D+01  0.443349D+01
      3  -0.248795D+01 -0.254349D+01  0.103367D+02  0.271895D+01  0.121096D+02
                41            42            43            44            45 
      1  -0.806999D+00 -0.531048D+00 -0.411622D+01  0.764506D+01  0.163638D+01
      2  -0.310600D+01 -0.128227D+01 -0.141816D+02 -0.751148D+00 -0.124324D+00
      3   0.200407D+02  0.149602D+01 -0.128682D+01  0.353027D+01  0.466900D+01
                46            47            48            49            50 
      1   0.910620D+00 -0.931802D+00 -0.137606D+01 -0.521067D+00  0.125801D+00
      2   0.535391D+00  0.195422D+01 -0.129149D+01  0.221057D+01  0.239631D+01
      3  -0.546642D+01 -0.152187D+02 -0.211546D+01  0.762793D-01  0.420276D+01
                51            52            53            54            55 
      1  -0.411237D+01  0.240040D+01  0.790352D+00 -0.103172D+01 -0.212956D+01
      2  -0.600086D+01 -0.111848D+02 -0.880608D+01 -0.366039D+01 -0.104388D+01
      3  -0.170826D+01 -0.226836D+01 -0.227551D+01  0.562532D+01 -0.130287D+00
                56            57            58            59            60 
      1   0.731999D+00 -0.331929D+01  0.333742D+00  0.475497D+01  0.679786D+00
      2   0.358366D+01 -0.182028D+01  0.450538D+01  0.411439D+00  0.686646D+01
      3  -0.397769D+01  0.758165D+00  0.104171D+02  0.132650D+02 -0.534516D+01
                61            62            63            64            65 
      1  -0.675737D+01  0.742594D+01  0.355302D+00  0.449873D+01 -0.222905D+01
      2  -0.160258D+02  0.104345D+02  0.125730D+01 -0.131117D+02 -0.912452D+00
      3   0.237190D+01 -0.579546D+01 -0.509646D+01  0.235216D+00 -0.115271D+02
                66            67            68            69            70 
      1  -0.754700D+00 -0.842304D+00 -0.243792D+01  0.141597D+01  0.119833D+01
      2   0.153031D+01  0.411010D+00 -0.647014D+00 -0.413140D+01 -0.945911D+01
      3  -0.381675D+01 -0.742403D+01 -0.767734D+01  0.531720D+01 -0.690387D+01
                71            72            73            74            75 
      1   0.566331D+01 -0.468611D+01  0.186027D+01  0.534459D+01  0.422618D+01
      2  -0.789366D+01  0.138853D+02  0.142869D+00 -0.166130D+01 -0.239535D+00
      3   0.346857D+01  0.577222D+01 -0.513102D+01 -0.404858D+01  0.109730D+01
                76            77            78            79            80 
      1   0.199914D+01 -0.900497D+01  0.853336D+00  0.113136D+02  0.141869D+02
      2  -0.190419D+01  0.307594D+01  0.141214D+00 -0.872139D+01 -0.292422D+01
      3   0.119878D+02 -0.100804D+01 -0.794523D+01 -0.518729D+00 -0.145363D+02
                81            82            83            84            85 
      1   0.105985D+02  0.277922D+00  0.470033D+00 -0.230937D+01 -0.430331D+00
      2  -0.359939D+01 -0.515769D+00 -0.430870D+00  0.357753D+01  0.928807D+00
      3  -0.566849D+01 -0.191804D+01 -0.557319D+01  0.253406D-01 -0.414784D+01
                86            87            88            89            90 
      1  -0.686180D-01 -0.263011D+01  0.126024D+01  0.142125D+01 -0.218636D+00
      2   0.996194D+00  0.296942D+01 -0.160593D+01 -0.110665D+01  0.170288D+00
      3  -0.898996D+01 -0.824609D+00 -0.111662D+01 -0.169905D+01  0.173137D+00
                91            92            93            94            95 
      1  -0.202603D+00 -0.592809D+00  0.118510D+01 -0.273716D-01  0.197900D+00
      2  -0.192923D+01  0.394114D+00  0.585780D+01  0.167342D+01 -0.780019D+00
      3   0.199712D+01 -0.546155D+01 -0.303515D+00 -0.411346D+01  0.286346D+01
                96            97            98            99           100 
      1  -0.755391D+00 -0.913643D+00  0.582175D+00 -0.120212D+00  0.290993D+00
      2  -0.169632D+01 -0.248214D+01  0.595537D+00 -0.567257D+00  0.677025D+00
      3   0.750549D+00 -0.186252D+01  0.150124D+01  0.855732D-01 -0.389418D+01
               101           102           103           104           105 
      1   0.521211D-01  0.965933D+00 -0.264533D+00  0.819337D+00 -0.462598D+01
      2  -0.100856D+01  0.341370D-01 -0.132341D+01  0.253154D+01  0.571948D+00
      3   0.409579D+01  0.109367D+01  0.633240D+01 -0.129640D+02 -0.307452D+01
               106           107           108           109           110 
      1  -0.282095D+00  0.220159D+01 -0.649057D+00 -0.195037D+00  0.152528D+00
      2  -0.130495D+01  0.616135D+00 -0.822637D-01 -0.362850D+00  0.447921D+00
      3   0.148004D+01 -0.333795D+01 -0.449437D+00  0.806878D+00 -0.118305D+01
               111           112           113           114           115 
      1   0.115571D+01  0.130285D+00  0.647965D+00 -0.461835D+01 -0.335212D+00
      2   0.105054D+01  0.182558D+00 -0.334519D+01 -0.262917D+01 -0.815151D+00
      3  -0.339026D+00  0.597221D+00  0.149902D+02  0.309587D+01 -0.180865D+00
               116           117           118           119           120 
      1   0.201679D+01 -0.680553D+00 -0.855463D+00 -0.525818D+00  0.157744D+01
      2  -0.377517D-01 -0.352535D+00 -0.103844D+01  0.452625D+00  0.308310D+01
      3   0.339233D+01  0.276666D+00  0.119953D+01 -0.338001D+01  0.137044D+00
               121           122           123           124           125 
      1   0.330539D+00  0.534791D+00 -0.297469D+01  0.233095D+01  0.966809D+00
      2  -0.108891D+00 -0.260875D+01 -0.552910D+01  0.169291D+01 -0.429418D+01
      3   0.916000D+00  0.344562D+01  0.385923D+01  0.105125D+01  0.504092D+01
               126           127           128           129           130 
      1  -0.383799D+01  0.321505D+01  0.192131D+01  0.321310D+01 -0.189326D+01
      2  -0.841281D+01  0.125336D+02 -0.732993D+01  0.865826D+01 -0.712421D+01
      3   0.406135D+01  0.103425D+02 -0.145936D+02  0.194206D+01 -0.597124D+01
               131           132           133           134           135 
      1   0.417534D+01 -0.119469D+02  0.294091D+01 -0.657774D+01 -0.686375D+01
      2  -0.593437D+01 -0.799423D+01  0.628715D+01 -0.849673D+01 -0.622936D+01
      3  -0.186434D+02  0.775903D+01 -0.182462D+00  0.748761D+01  0.518984D+01
               136           137           138           139           140 
      1   0.185805D-01  0.723264D+00  0.341787D-01  0.870957D+00  0.679990D-02
      2  -0.400284D+00 -0.115920D+00  0.811309D+00 -0.379386D+00 -0.254878D+01
      3  -0.748979D+00  0.728668D+00 -0.192586D+00  0.293634D+01 -0.110890D+01
               141           142           143           144           145 
      1  -0.143499D+01 -0.142672D+01  0.220485D+01  0.677428D+01 -0.245789D+01
      2   0.348449D+01  0.951605D+00  0.491615D+01 -0.189562D+02  0.937698D+01
      3   0.232989D+01 -0.983494D+00  0.520214D+01 -0.288538D+01  0.686453D+01
               146           147           148           149           150 
      1  -0.810735D+00 -0.161558D+01 -0.835136D+00 -0.490431D+00 -0.131900D+01
      2   0.129289D+01  0.654808D+01  0.991021D+00  0.154701D+01  0.115407D+01
      3  -0.562740D+01  0.118723D+01 -0.586697D+00  0.221213D+00 -0.124834D+01
               151           152           153           154           155 
      1  -0.183906D+01 -0.793791D-01 -0.804829D+00  0.411882D+00 -0.941177D+00
      2   0.458136D+01  0.161416D+01  0.172300D+01  0.252059D+00  0.603238D+00
      3   0.254979D+01 -0.274202D+01  0.210734D+00 -0.140802D+01  0.127008D+00
               156           157           158           159           160 
      1  -0.228259D-01  0.220415D+01  0.664027D+01 -0.598161D+01 -0.222825D+01
      2   0.114736D+01 -0.687045D+00 -0.252605D+01  0.134699D+01  0.329022D+00
      3  -0.135741D+01  0.474019D+01 -0.905416D+01  0.235121D+01 -0.208799D+01
               161           162           163           164           165 
      1  -0.461762D+01  0.232486D+01 -0.343720D+01 -0.137581D+01 -0.386712D+01
      2   0.160205D+01 -0.853791D+00 -0.564001D+00  0.775744D+00  0.273491D+01
      3   0.523145D+01 -0.982413D+00  0.658127D+01  0.357103D+00  0.232757D+01
               166           167           168           169           170 
      1  -0.151423D+01 -0.168087D+01 -0.323376D+01 -0.750789D+01 -0.592169D+01
      2   0.693755D+00  0.111475D+01  0.150984D+01  0.140986D+01  0.322257D+01
      3  -0.312018D+00 -0.194544D+00  0.176922D+00  0.730961D+01  0.239964D+01
               171           172           173           174           175 
      1  -0.161490D+02  0.132301D+01 -0.144692D+01 -0.144645D+01 -0.615099D+00
      2   0.682268D+01  0.160296D+01 -0.263988D+00 -0.236491D+01 -0.972897D+00
      3   0.259437D+01 -0.966057D+00  0.900073D+00 -0.672975D+00  0.109586D+01
               176           177           178           179           180 
      1   0.514752D+01  0.487988D+01 -0.191339D+00  0.686670D+01  0.107581D+02
      2   0.364691D+01  0.675348D+01 -0.315919D+01  0.378057D+01  0.143801D+02
      3  -0.259479D+01 -0.361860D+01 -0.582516D+00 -0.437373D+01 -0.379456D+01
               181           182           183           184           185 
      1   0.267319D+00  0.104532D+01  0.253292D+01  0.885700D+00 -0.582108D+00
      2  -0.797573D+01  0.925185D+00  0.637900D+01  0.131194D+01 -0.157800D-01
      3  -0.143918D+02 -0.320103D+01 -0.252084D+00  0.881377D-01  0.185687D+01
               186           187           188           189           190 
      1  -0.217881D+00  0.121729D+01  0.101882D+01  0.222818D+00 -0.133808D+01
      2   0.720279D-01  0.136269D+01  0.314379D+00 -0.422819D+00  0.142524D+01
      3  -0.566212D+00  0.693468D+00 -0.333217D+00 -0.187557D+01  0.544161D+01
               191           192           193           194           195 
      1  -0.133136D+01 -0.186809D+01 -0.128641D+01 -0.491229D+01 -0.283161D+01
      2   0.282677D+01 -0.154960D+01  0.226634D+01  0.633187D+01 -0.288008D+01
      3   0.718221D+01 -0.167694D+01  0.730482D+01  0.209090D+02 -0.528965D+01
               196           197           198 
      1  -0.344197D+00  0.954939D+00  0.123660D+01
      2  -0.147520D+01 -0.211902D+01  0.249219D+01
      3  -0.467910D-01 -0.356989D+01  0.305739D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393209D+01 -0.236910D+02 -0.366085D+01  0.312132D+02  0.827035D+00
      2  -0.144176D+01  0.162911D+02 -0.220172D+01 -0.311803D+02 -0.464152D+01
      3   0.537385D+01  0.739996D+01  0.586257D+01 -0.328679D-01  0.381449D+01
      4  -0.201799D+02  0.118117D+02  0.539578D+01  0.202479D+01 -0.157693D+02
      5   0.208429D+01  0.343150D+01  0.113495D+02 -0.684866D+01 -0.923215D+01
      6   0.266886D+01  0.263825D+01  0.107700D+02 -0.888365D+01 -0.509639D+01
                 6             7             8             9            10 
      1  -0.109664D+00  0.118920D+02  0.391456D+01  0.666123D+01 -0.109681D+02
      2   0.251440D+01 -0.129639D+02 -0.647049D+01 -0.111786D+02  0.586776D+01
      3  -0.240473D+01  0.107194D+01  0.255593D+01  0.451737D+01  0.510032D+01
      4  -0.115310D+02 -0.197646D+01 -0.107307D+02  0.139385D+02  0.694415D+01
      5   0.160203D+02  0.274495D+02  0.160779D+02  0.814467D+01  0.739231D+01
      6   0.317676D+01  0.863740D+01  0.122196D+02 -0.296257D+01 -0.145322D+00
                11            12            13            14            15 
      1   0.739418D+01  0.837347D+01 -0.232594D+02 -0.194424D+02 -0.714061D+01
      2  -0.441940D+01 -0.238711D+01  0.205964D+02  0.188524D+02  0.932358D+01
      3  -0.297478D+01 -0.598636D+01  0.266301D+01  0.589931D+00 -0.218297D+01
      4   0.253155D+02 -0.864112D+00 -0.225275D+02  0.130464D+02  0.878867D+01
      5  -0.103317D+01  0.194979D+02 -0.126466D+02  0.591435D+01 -0.685871D+01
      6   0.148736D+00 -0.508870D+01  0.730662D+01  0.457793D+01 -0.522414D+01
                16            17            18            19            20 
      1   0.460436D+01 -0.932746D+01  0.132480D+02  0.102532D+02  0.545713D+01
      2   0.238732D+01  0.657150D+01 -0.187083D+02 -0.789991D+01 -0.689021D+01
      3  -0.699168D+01  0.275597D+01  0.546033D+01 -0.235330D+01  0.143307D+01
      4  -0.142793D+02  0.395674D+01 -0.410196D+01  0.819755D+01 -0.237300D+02
      5   0.358080D+02 -0.615976D+01 -0.100753D+02 -0.252995D+01 -0.167750D+01
      6  -0.200670D+01  0.705134D+01 -0.362259D+01 -0.646566D+00  0.206986D+01
                21            22            23            24            25 
      1  -0.201163D+01  0.511397D+01  0.107904D+02  0.574412D+01 -0.155539D+01
      2   0.277516D+01  0.107135D+01 -0.168055D+02 -0.933256D+01  0.162169D+01
      3  -0.763533D+00 -0.618532D+01  0.601510D+01  0.358844D+01 -0.663032D-01
      4  -0.381960D+01  0.186314D+02  0.108671D+02  0.621577D+00  0.122912D+01
      5  -0.647923D+01  0.545663D+00  0.100327D+01  0.346301D+01  0.226676D+01
      6  -0.736803D+01  0.360213D+01 -0.135544D+02  0.581792D+01 -0.743953D-01
                26            27            28            29            30 
      1   0.405245D+01 -0.150792D+02 -0.216014D+02  0.942038D+01  0.285904D+01
      2  -0.108600D+02  0.324630D+00  0.137295D+02 -0.534276D+01 -0.227647D+00
      3   0.680759D+01  0.147546D+02  0.787192D+01 -0.407762D+01 -0.263140D+01
      4   0.337034D+01  0.980877D+01 -0.132958D+02  0.119220D+02  0.362100D+00
      5   0.869557D+01  0.815803D+01  0.503402D+01 -0.166100D+01 -0.121380D+01
      6   0.139519D+02  0.622227D+01 -0.361569D+01  0.967465D-01 -0.282409D+01
                31            32            33            34            35 
      1  -0.120076D+01 -0.120012D+01 -0.426935D+00  0.907209D+01 -0.146440D+01
      2   0.634569D+01  0.791951D+01  0.174533D+01 -0.121295D+01 -0.568969D+00
      3  -0.514493D+01 -0.671938D+01 -0.131839D+01 -0.785914D+01  0.203337D+01
      4  -0.214853D+01  0.782308D+01  0.475004D+00 -0.460902D+01  0.108219D+01
      5  -0.301543D+01 -0.106304D+01 -0.520257D+00  0.460265D+01 -0.787771D+00
      6   0.468469D+01  0.229836D+01  0.219437D+01 -0.156691D+01  0.701117D+01
                36            37            38            39            40 
      1  -0.888715D+01 -0.150176D+02 -0.255248D+02 -0.476298D+01 -0.819428D+01
      2  -0.311823D+01  0.107039D+02  0.176264D+02  0.297820D+01 -0.838028D+00
      3   0.120054D+02  0.431367D+01  0.789843D+01  0.178478D+01  0.903231D+01
      4  -0.338917D+01 -0.397063D+01 -0.566644D+01  0.208126D+01  0.239535D+01
      5   0.740743D+00 -0.862015D+00  0.240125D+01 -0.133868D+01  0.523979D+01
      6  -0.883194D-01  0.670136D+01  0.388247D+01  0.323209D+01 -0.585521D+01
                41            42            43            44            45 
      1  -0.103997D+02  0.316313D+01 -0.318355D+00  0.595289D+01 -0.106818D+02
      2   0.108914D+02  0.285329D+00 -0.982130D+00 -0.444933D+01  0.113671D+01
      3  -0.491716D+00 -0.344846D+01  0.130048D+01 -0.150356D+01  0.954505D+01
      4  -0.518592D+01 -0.181016D+01  0.109699D+01  0.139493D+00 -0.174463D+01
      5  -0.136329D+01 -0.184922D+01  0.539954D+01 -0.315501D+01  0.128523D+00
      6   0.309573D+00  0.248447D+01  0.607879D+00  0.942143D+01 -0.144817D+01
                46            47            48            49            50 
      1   0.147593D+02  0.161034D+02 -0.166028D+01 -0.197135D+02  0.143340D+02
      2  -0.124074D+02 -0.106141D+02 -0.141799D+01  0.172711D+02 -0.211534D+02
      3  -0.235192D+01 -0.548929D+01  0.307826D+01  0.244240D+01  0.681942D+01
      4   0.572946D+01 -0.163864D+02 -0.551523D+01  0.135321D+02 -0.215871D+01
      5   0.369408D+01 -0.471202D+01 -0.561738D+01  0.118895D+01  0.502603D+01
      6  -0.675610D+01  0.195513D+01  0.127429D+01  0.410962D+01 -0.122737D+02
                51            52            53            54            55 
      1   0.375925D+01 -0.634673D+01 -0.116028D+01 -0.764016D+01  0.219482D+02
      2  -0.825665D+01  0.819991D+01 -0.748294D+01 -0.427884D+01 -0.107045D+02
      3   0.449740D+01 -0.185318D+01  0.864322D+01  0.119190D+02 -0.112437D+02
      4   0.527847D+01 -0.261773D+01  0.106557D+02 -0.140020D+02  0.134803D+02
      5  -0.112337D+02  0.864338D+01 -0.132545D+02 -0.747409D+01 -0.214427D+01
      6   0.700723D+01 -0.444095D+01  0.129827D+02  0.309788D+01  0.375971D+01
                56            57            58            59            60 
      1  -0.571843D+01  0.382908D+01 -0.492754D+01 -0.600347D+01  0.447715D+01
      2   0.325524D+01 -0.180765D+01 -0.483379D+00  0.508592D+01 -0.521824D+01
      3   0.246319D+01 -0.202143D+01  0.541092D+01  0.917549D+00  0.741086D+00
      4  -0.140858D+02  0.320591D+01 -0.269309D+02 -0.571937D+01  0.638840D+01
      5   0.382386D+01 -0.121963D+02  0.641861D+01  0.774106D+01  0.166011D+02
      6  -0.212436D+01  0.920297D+01  0.300141D+01 -0.467178D+01 -0.144155D+02
                61            62            63            64            65 
      1  -0.728472D+01  0.700558D+01  0.153559D+01 -0.361942D+02 -0.135016D+02
      2   0.562655D-01  0.949193D+00 -0.145887D+01  0.116076D+02  0.101250D+02
      3   0.722845D+01 -0.795477D+01 -0.767169D-01  0.245866D+02  0.337659D+01
      4   0.132304D+02 -0.178622D+01  0.255633D+02 -0.172395D+02  0.128561D+01
      5  -0.267540D+02  0.232138D+02  0.566622D+01 -0.112616D+02  0.106086D+00
      6   0.206792D+02 -0.175007D+02 -0.923912D+01 -0.395047D+01  0.764739D+00
                66            67            68            69            70 
      1  -0.119534D+02 -0.105142D+02  0.703044D+01  0.433856D-01 -0.224409D+02
      2   0.763903D+01  0.960122D+01  0.870960D+00 -0.644086D+01  0.947874D+01
      3   0.431441D+01  0.912927D+00 -0.790140D+01  0.639747D+01  0.129621D+02
      4  -0.316407D+01  0.461610D+01  0.143609D+02 -0.422168D+01 -0.804342D+01
      5   0.316993D+01  0.234040D+01 -0.675931D+01 -0.660108D+01 -0.111729D+01
      6   0.370357D+00 -0.232936D+01 -0.212617D+01 -0.395419D+01 -0.362157D+01
                71            72            73            74            75 
      1  -0.217608D+01  0.665927D+01  0.397306D+01  0.116588D+02  0.864159D+01
      2  -0.993616D+01  0.129626D+02  0.392949D+01 -0.465443D+01 -0.746705D+01
      3   0.121122D+02 -0.196219D+02 -0.790255D+01 -0.700435D+01 -0.117454D+01
      4   0.223447D+01 -0.123127D+02  0.258915D+01  0.233129D+00 -0.327799D+01
      5  -0.113401D+02  0.260208D+02 -0.721284D-01 -0.515656D+01 -0.763722D+01
      6  -0.647582D+00  0.178250D+02 -0.457570D+01 -0.906567D+01 -0.814486D+01
                76            77            78            79            80 
      1   0.224242D+02  0.289374D+02 -0.792748D+01  0.151726D+02 -0.679656D+01
      2  -0.197766D+02 -0.427021D+02  0.143701D+02 -0.654581D+01  0.209061D+02
      3  -0.264757D+01  0.137647D+02 -0.644262D+01 -0.862682D+01 -0.141095D+02
      4  -0.286648D+01 -0.114184D+02  0.149685D+01 -0.695210D+01 -0.213867D+01
      5  -0.765774D+01  0.247606D+01 -0.193072D+01 -0.128487D+02 -0.106312D+02
      6  -0.314477D+01  0.127112D+02 -0.606451D+01 -0.180270D+02 -0.197517D+02
                81            82            83            84            85 
      1   0.126354D+02  0.399412D+02  0.213667D+02  0.230301D+01  0.164386D+02
      2  -0.794996D+01 -0.130867D+02 -0.376423D+01 -0.893625D+00  0.201662D+01
      3  -0.468547D+01 -0.268545D+02 -0.176025D+02 -0.140938D+01 -0.184552D+02
      4  -0.119365D+02  0.437365D+02  0.330738D+02  0.242120D+01  0.376972D+02
      5  -0.157467D+02  0.507596D+01  0.271739D+01  0.642358D+01  0.566373D+01
      6  -0.209066D+02  0.595731D+00  0.545808D+00  0.284887D+01  0.265200D+01
                86            87            88            89            90 
      1   0.110947D+02  0.156387D+01 -0.879805D-01  0.274218D+00  0.450942D+00
      2   0.780221D+01 -0.474114D+00  0.152652D+01  0.148254D+01  0.510175D+00
      3  -0.188969D+02 -0.108976D+01 -0.143854D+01 -0.175675D+01 -0.961117D+00
      4   0.388486D+02  0.464397D+01  0.438101D+01  0.482929D+01  0.208654D+01
      5   0.536531D+01  0.451949D+01  0.166687D+01  0.975107D+00  0.518073D+00
      6   0.256034D+01  0.432697D+01  0.107553D+01  0.134767D+01  0.127129D+01
                91            92            93            94            95 
      1   0.942138D+02 -0.169202D+02 -0.101470D+02 -0.152308D+02  0.112776D+02
      2  -0.531292D+02  0.857421D+01  0.685922D+01  0.669759D+01 -0.473030D+01
      3  -0.410845D+02  0.834604D+01  0.328777D+01  0.853323D+01 -0.654731D+01
      4  -0.268476D+02  0.129110D+02  0.305567D+01  0.200979D+02 -0.939903D+01
      5  -0.154424D+02  0.291920D+01  0.103576D+02  0.572989D+01 -0.306466D+01
      6   0.132766D+00 -0.662114D+00 -0.120764D+01 -0.176891D+01  0.661628D+00
                96            97            98            99           100 
      1   0.312726D+01 -0.119331D+02  0.384930D+01  0.301856D+01 -0.397801D+01
      2  -0.230541D+01  0.650788D+01 -0.211101D+01 -0.162575D+01  0.561353D+01
      3  -0.821857D+00  0.542527D+01 -0.173829D+01 -0.139282D+01 -0.163552D+01
      4  -0.290513D+01  0.648617D+01 -0.317962D+01 -0.177680D+01 -0.210926D+00
      5  -0.266766D+01  0.340944D+01 -0.788710D+00 -0.212286D+01  0.985687D-01
      6   0.223966D+01 -0.573914D+00  0.901730D+00  0.811605D+00  0.216164D+01
               101           102           103           104           105 
      1   0.720165D+01  0.254657D+01  0.399810D+01 -0.402215D+02 -0.957768D+01
      2  -0.744432D+01 -0.183283D+01 -0.393511D+01  0.547422D+02  0.982365D+01
      3   0.242674D+00 -0.713742D+00 -0.629809D-01 -0.145207D+02 -0.245962D+00
      4   0.757715D+01  0.123448D+01  0.547643D+01  0.115953D+02  0.305080D+01
      5   0.976910D+00  0.168258D+01  0.983143D+00  0.387891D+01  0.163966D+01
      6  -0.324723D+01 -0.156669D+01 -0.928434D+00  0.169274D+02  0.101793D+02
               106           107           108           109           110 
      1   0.115753D+01 -0.928591D+01 -0.369621D+01  0.189007D+01 -0.259610D+01
      2  -0.110945D+01  0.114466D+02  0.419231D+01  0.353679D+01 -0.357415D+01
      3  -0.480788D-01 -0.216064D+01 -0.496101D+00 -0.542686D+01  0.617025D+01
      4   0.123466D+01  0.189832D+01 -0.752065D+00 -0.126752D+02  0.172074D+02
      5   0.730062D+00  0.314649D+00 -0.357577D+00 -0.287104D+01  0.370527D+01
      6  -0.346489D+00  0.623315D+01  0.369432D+01  0.262024D+01 -0.304976D+01
               111           112           113           114           115 
      1  -0.313699D+00  0.275720D+01 -0.242877D+02 -0.519153D+01  0.150838D+00
      2  -0.368935D+00 -0.102854D+02  0.437158D+02  0.653309D+01 -0.186220D+01
      3   0.682635D+00  0.752816D+01 -0.194281D+02 -0.134156D+01  0.171136D+01
      4   0.392221D+01  0.192359D+02 -0.430297D+02 -0.903820D+01  0.505838D+01
      5   0.350288D+01  0.395963D+01 -0.814533D+01 -0.489613D+01  0.149969D+01
      6  -0.209502D+01 -0.450989D+01  0.140267D+02  0.936509D+01 -0.173227D+01
               116           117           118           119           120 
      1  -0.431171D+01 -0.273587D+01  0.488512D+01 -0.206308D+01 -0.325690D+01
      2   0.753241D+01  0.358048D+01 -0.403570D+01  0.116232D+01  0.258125D+01
      3  -0.322070D+01 -0.844609D+00 -0.849424D+00  0.900765D+00  0.675651D+00
      4  -0.103953D+02 -0.258715D+01 -0.899482D+01  0.100670D+02  0.479511D+01
      5  -0.233740D+01 -0.151647D+01 -0.854994D+01  0.427256D+01  0.120816D+02
      6   0.538318D+01  0.370405D+01  0.571100D+01 -0.279303D+01 -0.450361D+01
               121           122           123           124           125 
      1   0.988643D+00 -0.625531D+01 -0.560079D+01 -0.424330D+00 -0.572465D+01
      2  -0.115469D+01  0.625995D+01  0.342647D+01  0.374539D+01  0.264994D+00
      3   0.166045D+00 -0.464072D-02  0.217432D+01 -0.332106D+01  0.545966D+01
      4   0.150184D+02 -0.149583D+02 -0.989213D+01  0.848295D+01 -0.108088D+02
      5   0.638528D+01 -0.987837D+01 -0.131787D+02  0.172358D+02 -0.131878D+02
      6  -0.628727D+01  0.132206D+02  0.154801D+02 -0.104166D+02  0.150109D+02
               126           127           128           129           130 
      1  -0.986339D+01 -0.586652D+02  0.241147D+02 -0.550476D+01  0.135019D+02
      2  -0.582338D+01  0.227449D+02 -0.201008D+02  0.116020D+01 -0.105335D+02
      3   0.156868D+02  0.359203D+02 -0.401397D+01  0.434455D+01 -0.296847D+01
      4  -0.136245D+02  0.312092D+02  0.610971D+01 -0.519268D+01  0.134889D+02
      5  -0.233590D+02 -0.695449D+01 -0.209638D+01  0.116816D+02 -0.587004D+01
      6   0.201717D+02 -0.220255D+01  0.827014D+01 -0.630302D+01  0.710611D+01
               131           132           133           134           135 
      1   0.238540D+02 -0.101834D+01  0.418400D+01 -0.260526D+01  0.797000D+01
      2  -0.257875D+02  0.167187D+02 -0.365752D+01  0.123568D+02  0.811328D+01
      3   0.193345D+01 -0.157004D+02 -0.526486D+00 -0.975150D+01 -0.160833D+02
      4   0.556681D+01 -0.486141D+01 -0.176640D+02  0.247186D+01 -0.236685D+02
      5  -0.697188D+00 -0.159040D+02  0.205750D+02 -0.200218D+02 -0.291388D+01
      6   0.924736D+01  0.584088D+01 -0.141373D+02  0.882207D+01 -0.489686D+01
               136           137           138           139           140 
      1   0.488409D+01  0.359168D+01 -0.416688D+01  0.151752D+01 -0.526247D+01
      2  -0.487813D+01 -0.235272D+01  0.242235D+01 -0.134702D+01  0.131792D+01
      3  -0.595498D-02 -0.123896D+01  0.174452D+01 -0.170501D+00  0.394456D+01
      4   0.410490D+01  0.152638D+01 -0.313539D+01  0.459441D+01  0.367934D+01
      5  -0.531758D+01 -0.268381D+01  0.675809D+01 -0.347137D+01 -0.522475D+01
      6  -0.281315D+01 -0.521708D+00 -0.188588D+00 -0.233566D+01 -0.653449D+01
               141           142           143           144           145 
      1   0.362161D+01 -0.341201D+01  0.454170D+01 -0.138734D+02  0.681071D+02
      2  -0.210894D+00  0.831578D+01  0.253646D+01 -0.205399D+02 -0.329036D+02
      3  -0.341072D+01 -0.490376D+01 -0.707816D+01  0.344133D+02 -0.352035D+02
      4  -0.618532D+01 -0.628999D+01 -0.969437D+01  0.128223D+02  0.271279D+02
      5   0.685186D+01  0.160647D+02  0.116570D+02 -0.389267D+02  0.193213D+01
      6   0.114524D+02  0.652712D+01  0.105679D+02 -0.229527D+02  0.821148D+00
               146           147           148           149           150 
      1   0.104916D+02  0.621115D+01  0.555506D+01  0.582395D+01  0.118357D+00
      2  -0.328427D+01 -0.209094D+01 -0.146329D+00 -0.458029D+00  0.134688D+01
      3  -0.720736D+01 -0.412021D+01 -0.540873D+01 -0.536593D+01 -0.146524D+01
      4   0.147595D+02  0.138468D+01  0.130452D+02  0.538839D+01  0.190923D+01
      5  -0.536930D+00  0.919239D+01 -0.234832D+00  0.157304D+01  0.160541D+01
      6  -0.358417D+00  0.254003D+01 -0.231313D+00  0.903263D+00  0.214271D+01
               151           152           153           154           155 
      1   0.162217D+02  0.238428D+01  0.598251D+01 -0.343690D+00  0.515866D+01
      2  -0.779113D+01  0.106345D+01 -0.530415D+01  0.323859D+01 -0.592270D+01
      3  -0.843059D+01 -0.344774D+01 -0.678352D+00 -0.289490D+01  0.764043D+00
      4   0.746839D+01  0.469697D+01  0.458359D+01  0.156338D+01  0.839612D+01
      5   0.107389D+02  0.321078D+01  0.217625D+01 -0.485950D+00 -0.665392D+00
      6   0.298173D+01  0.196909D+01 -0.294550D+00 -0.263522D+01  0.136409D+01
               156           157           158           159           160 
      1  -0.218715D+01 -0.525981D+01 -0.420207D+02  0.768403D+01 -0.105836D+01
      2   0.158960D+01  0.917841D+01  0.680464D+02 -0.121822D+02 -0.177739D+01
      3   0.597558D+00 -0.391860D+01 -0.260257D+02  0.449814D+01  0.283575D+01
      4  -0.173722D+01  0.100867D+02  0.191249D+02 -0.316951D+01 -0.347057D+01
      5   0.304145D+01 -0.149447D+01 -0.295287D+01  0.278465D+01  0.397183D+01
      6   0.168968D+00 -0.269454D+01 -0.164034D+02  0.103254D+02  0.499166D+01
               161           162           163           164           165 
      1   0.139121D+02 -0.894873D+01  0.183775D+01 -0.113103D+01 -0.163939D+00
      2  -0.212251D+02  0.955344D+01 -0.361776D+01  0.119530D+01  0.343190D+00
      3   0.731296D+01 -0.604711D+00  0.178001D+01 -0.642726D-01 -0.179251D+00
      4  -0.607965D+01  0.437961D+01  0.805264D+01  0.747338D+01  0.665693D+01
      5   0.442898D+01 -0.244811D+00  0.746854D+01  0.528068D+01  0.108292D+02
      6   0.163019D+02 -0.618075D+01  0.718714D+01  0.480259D+01  0.735460D+01
               166           167           168           169           170 
      1  -0.492096D+01 -0.119396D+02 -0.515806D+01 -0.523923D+01 -0.120503D+02
      2   0.636716D+01  0.138886D+02  0.416783D+01  0.315921D+00  0.674905D+01
      3  -0.144619D+01 -0.194898D+01  0.990231D+00  0.492331D+01  0.530125D+01
      4   0.557226D+01  0.858871D+01  0.515194D+01  0.131399D+02  0.112859D+02
      5   0.287270D+01  0.514759D+01  0.438017D+01  0.146463D+02  0.128302D+02
      6   0.461970D+01  0.816526D+01  0.975636D+01  0.150565D+02  0.213805D+02
               171           172           173           174           175 
      1  -0.182411D+02  0.396523D+01 -0.125819D+01  0.556564D+01  0.283445D+01
      2   0.166311D+01 -0.396488D+01  0.190558D+01 -0.188615D+00 -0.220088D+01
      3   0.165780D+02 -0.355742D-03 -0.647394D+00 -0.537703D+01 -0.633567D+00
      4   0.124102D+02 -0.751443D+00 -0.141001D+01 -0.683835D+00 -0.156785D+01
      5   0.216066D+02  0.253561D+01  0.113501D+01  0.342071D+00  0.435409D+01
      6   0.314001D+02  0.355737D+00 -0.158372D+01  0.215479D+01 -0.600911D+00
               176           177           178           179           180 
      1  -0.484839D+01 -0.299552D+01  0.498886D+01 -0.158413D+01 -0.134911D+02
      2  -0.940670D-01 -0.928783D+01 -0.326055D+01 -0.736031D+01 -0.179251D+02
      3   0.494245D+01  0.122833D+02 -0.172831D+01  0.894444D+01  0.314162D+02
      4   0.572549D+01  0.577927D+01 -0.209995D+01  0.759323D+01  0.759148D+01
      5   0.406117D+01  0.119150D+02  0.650993D+01  0.476693D+01  0.235796D+02
      6   0.162562D+01  0.609010D+00 -0.420527D+00  0.355447D+01 -0.545751D+01
               181           182           183           184           185 
      1   0.806874D+02 -0.146489D+02  0.217434D+01 -0.531103D+01  0.419594D+01
      2  -0.368254D+02  0.315873D+01 -0.338785D+01 -0.923587D+00  0.188359D+01
      3  -0.438620D+02  0.114901D+02  0.121351D+01  0.623462D+01 -0.607952D+01
      4  -0.452912D+02  0.206974D+02 -0.321243D+01  0.150512D+02 -0.978976D+01
      5   0.196661D+02 -0.502859D+01  0.119906D+02 -0.107387D+01  0.173880D+01
      6  -0.397419D+01  0.313249D+01 -0.501428D+01  0.125229D+01 -0.200864D+01
               186           187           188           189           190 
      1   0.222852D+00 -0.666355D+01  0.116252D+01  0.531561D+01  0.371581D-02
      2  -0.125254D+01  0.100469D+01 -0.212742D+00 -0.468826D+01  0.359838D+01
      3   0.102969D+01  0.565886D+01 -0.949775D+00 -0.627348D+00 -0.360210D+01
      4   0.103305D+01  0.521240D+01 -0.258797D+01 -0.187227D+01 -0.161054D+01
      5  -0.768185D-01  0.913674D+01 -0.767643D+00  0.801659D+00 -0.722720D+00
      6   0.148216D+01 -0.328912D+01  0.131779D+01  0.388001D+00 -0.140037D+01
               191           192           193           194           195 
      1  -0.126820D+02  0.430895D+01 -0.892226D+01 -0.310659D+02  0.808507D+01
      2   0.139584D+02 -0.258792D+01  0.588269D+01  0.446592D+02 -0.822108D+01
      3  -0.127639D+01 -0.172103D+01  0.303957D+01 -0.135933D+02  0.136011D+00
      4  -0.191536D+01  0.139202D+01  0.596366D+01 -0.255190D+02  0.676482D+01
      5  -0.213572D+00 -0.209942D+01 -0.336890D+01  0.445537D+01 -0.406380D+01
      6  -0.626504D+01  0.438757D+01 -0.997143D+00 -0.192614D+02  0.110963D+02
               196           197           198 
      1   0.809007D+00  0.590058D+01 -0.721819D+01
      2  -0.508750D+00 -0.471843D+01  0.368337D+01
      3  -0.300257D+00 -0.118216D+01  0.353482D+01
      4   0.982203D+00  0.318673D+01 -0.141601D+01
      5   0.851737D+00 -0.207159D+01  0.296378D+01
      6   0.176444D+01  0.964429D+01 -0.523173D+01
 Leave Link  716 at Thu Jul  8 18:51:12 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.150487D+03  0.166760D+01 -0.223250D+01
      2   0.166760D+01  0.127173D+03  0.530479D+01
      3  -0.223250D+01  0.530479D+01  0.853188D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.310085D+01 -0.263744D+01  0.288911D+01
      2   0.107883D+02 -0.152659D+02  0.124407D+02
      3   0.121062D+01  0.360354D+02  0.121724D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.845887D+02 -0.133060D+02  0.825865D+01
      2   0.401211D+02  0.563945D+01 -0.546603D+01
      3   0.444676D+02  0.766650D+01 -0.279262D+01
      4  -0.232812D+02 -0.384326D+02 -0.321582D+02
      5   0.227562D+02 -0.324106D+02  0.354403D+02
      6  -0.142767D+02  0.758200D+01 -0.308567D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    66 ND12= 1 LenFil=    2379:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.503318D+00 -0.171407D+01 -0.798315D+00 -0.601663D+01  0.478378D+00
      2  -0.171407D+01 -0.282061D+01 -0.762703D+00  0.478378D+00 -0.235965D+01
      3  -0.798315D+00 -0.762703D+00 -0.245837D+01  0.118351D+01  0.108914D+01
                 6             7             8             9            10 
      1   0.118351D+01 -0.199634D+01  0.824513D+00 -0.409790D+01 -0.520052D+01
      2   0.108914D+01  0.824513D+00  0.151466D+01 -0.331342D+01  0.154322D+01
      3  -0.241843D+01 -0.409790D+01 -0.331342D+01 -0.988592D+00 -0.521682D+00
                11            12            13            14            15 
      1   0.154322D+01 -0.521682D+00  0.313861D+01  0.236748D+01  0.146082D+01
      2  -0.299035D+01  0.707376D-01  0.236748D+01  0.203471D+01 -0.682440D+00
      3   0.707376D-01 -0.303917D+01  0.146082D+01 -0.682440D+00  0.801892D+00
                16            17            18            19            20 
      1   0.274519D+00  0.156629D+01 -0.534149D+01 -0.171135D+01  0.458654D+01
      2   0.156629D+01  0.320259D+00  0.121893D+01  0.458654D+01  0.138433D+01
      3  -0.534149D+01  0.121893D+01  0.186407D+01  0.669598D+00 -0.278041D+00
                21            22            23            24            25 
      1   0.669598D+00 -0.603307D+01  0.820066D+00 -0.214427D+00 -0.973982D+00
      2  -0.278041D+00  0.820066D+00 -0.231425D+01  0.113448D+01 -0.126668D+01
      3   0.830134D+00 -0.214427D+00  0.113448D+01 -0.200186D+01 -0.360524D+00
                26            27            28            29            30 
      1  -0.126668D+01 -0.360524D+00  0.157209D+02 -0.473597D+01 -0.197152D+00
      2   0.108770D+01 -0.368017D+01 -0.473597D+01  0.510851D+01  0.190943D+00
      3  -0.368017D+01 -0.281348D+01 -0.197152D+00  0.190943D+00  0.197648D+01
                31            32            33            34            35 
      1  -0.932375D+01 -0.185810D+01 -0.597175D+00 -0.162036D+01 -0.120450D+01
      2  -0.185810D+01 -0.582032D+00 -0.173220D-01 -0.120450D+01 -0.524524D+00
      3  -0.597175D+00 -0.173220D-01 -0.108256D+00  0.333529D+01 -0.155061D+01
                36            37            38            39            40 
      1   0.333529D+01  0.313394D+01  0.427675D+01  0.934032D+00  0.138683D+02
      2  -0.155061D+01  0.427675D+01  0.677919D+01  0.142504D+01  0.307619D+01
      3  -0.159267D+01  0.934032D+00  0.142504D+01  0.195328D+01  0.232257D+00
                41            42            43            44            45 
      1   0.307619D+01  0.232257D+00  0.302044D+01  0.217187D+00  0.230088D+01
      2   0.558560D+01 -0.375733D+00  0.217187D+00 -0.115171D+01  0.242807D+01
      3  -0.375733D+00  0.106778D+01  0.230088D+01  0.242807D+01  0.585097D+00
                46            47            48            49            50 
      1   0.163858D+01 -0.405729D+01 -0.470718D+00  0.552794D+01 -0.836595D+00
      2  -0.405729D+01 -0.277547D+01  0.370814D+00 -0.836595D+00  0.132312D+01
      3  -0.470718D+00  0.370814D+00  0.243368D+00  0.179452D+00 -0.965127D+00
                51            52            53            54            55 
      1   0.179452D+00  0.503516D+00  0.115016D+01 -0.181686D+01 -0.419940D+01
      2  -0.965127D+00  0.115016D+01 -0.808868D+00  0.363958D+01  0.359905D+01
      3   0.233102D+01 -0.181686D+01  0.363958D+01  0.242339D+01 -0.215686D+00
                56            57            58            59            60 
      1   0.359905D+01 -0.215686D+00  0.511256D+01 -0.492740D+01  0.749008D+00
      2  -0.331775D+01  0.931060D+00 -0.492740D+01 -0.175988D+01  0.183283D+01
      3   0.931060D+00 -0.259006D+01  0.749008D+00  0.183283D+01  0.364651D+01
                61            62            63            64            65 
      1  -0.283709D+01  0.138276D+01 -0.491620D+01 -0.675491D+01 -0.220382D+01
      2   0.138276D+01  0.620613D+00  0.489238D+01 -0.220382D+01  0.197317D+01
      3  -0.491620D+01  0.489238D+01  0.161450D+01 -0.235846D+01  0.192389D+00
                66            67            68            69            70 
      1  -0.235846D+01 -0.178681D+01  0.159736D+01  0.355908D+00 -0.428407D+01
      2   0.192389D+00  0.159736D+01  0.308965D+01 -0.138546D+01 -0.171966D+00
      3   0.623795D+00  0.355908D+00 -0.138546D+01 -0.148931D+01 -0.460292D+00
                71            72            73            74            75 
      1  -0.171966D+00 -0.460292D+00 -0.269768D+01 -0.947580D+00 -0.497556D+00
      2  -0.164861D+00 -0.255868D+01 -0.947580D+00 -0.235461D+01 -0.197751D+01
      3  -0.255868D+01  0.613594D+01 -0.497556D+00 -0.197751D+01 -0.192875D+01
                76            77            78            79            80 
      1  -0.111414D+01 -0.420885D+01 -0.154203D+01 -0.226588D+01 -0.308494D+01
      2  -0.420885D+01 -0.868057D+01  0.161771D+01 -0.308494D+01  0.159016D+01
      3  -0.154203D+01  0.161771D+01 -0.109986D+01 -0.359651D+01 -0.349302D+01
                81            82            83            84            85 
      1  -0.359651D+01 -0.749183D+01 -0.465794D+01 -0.393957D+00 -0.453551D+01
      2  -0.349302D+01 -0.465794D+01 -0.346698D+01 -0.253294D+00 -0.452965D+01
      3  -0.480592D+01 -0.393957D+00 -0.253294D+00 -0.537749D+00 -0.700384D+00
                86            87            88            89            90 
      1  -0.452965D+01 -0.700384D+00 -0.248354D+00 -0.527009D+00  0.426838D-01
      2  -0.503657D+01 -0.648067D+00 -0.527009D+00 -0.909703D+00 -0.144798D-01
      3  -0.648067D+00 -0.553075D+00  0.426838D-01 -0.144798D-01 -0.686120D-01
                91            92            93            94            95 
      1  -0.129423D+02  0.248569D+01  0.162080D+01  0.255399D+01 -0.212288D+01
      2   0.248569D+01 -0.113385D+01 -0.320875D+00 -0.212288D+01  0.102401D+01
      3   0.162080D+01 -0.320875D+00 -0.894806D+00 -0.701182D+00  0.344245D+00
                96            97            98            99           100 
      1  -0.701182D+00  0.166362D+01 -0.665808D+00 -0.851435D-01  0.505445D+00
      2   0.344245D+00 -0.665808D+00  0.257587D+00  0.680191D-01 -0.137342D+01
      3   0.303078D+00 -0.851435D-01  0.680191D-01  0.159911D+00 -0.342451D+00
               101           102           103           104           105 
      1  -0.137342D+01 -0.342451D+00 -0.864943D+00  0.758589D+00  0.165366D+00
      2   0.135852D+01  0.461887D+00  0.758589D+00 -0.100733D+02 -0.228299D+01
      3   0.461887D+00  0.217403D+00  0.165366D+00 -0.228299D+01 -0.127005D+01
               106           107           108           109           110 
      1  -0.301596D+00  0.455839D+00  0.280425D-01 -0.140715D+01  0.192155D+01
      2   0.455839D+00 -0.241263D+01 -0.576174D+00  0.192155D+01 -0.198661D+01
      3   0.280425D-01 -0.576174D+00 -0.310734D+00  0.490212D+00 -0.535270D+00
               111           112           113           114           115 
      1   0.490212D+00  0.167515D+01 -0.300403D+01 -0.687383D+00  0.487982D+00
      2  -0.535270D+00 -0.300403D+01  0.995214D+01  0.210687D+01 -0.845744D+00
      3  -0.361648D+00 -0.687383D+00  0.210687D+01  0.118897D+01 -0.257440D+00
               116           117           118           119           120 
      1  -0.845744D+00 -0.257440D+00  0.225808D+01 -0.154545D+01 -0.149246D+01
      2   0.216126D+01  0.495192D+00 -0.154545D+01  0.107386D+01  0.463062D+00
      3   0.495192D+00  0.320508D+00 -0.149246D+01  0.463062D+00  0.145640D+01
               121           122           123           124           125 
      1  -0.355997D+01  0.254227D+01  0.106486D+01 -0.266103D+01  0.139153D+01
      2   0.254227D+01 -0.328894D+01 -0.228946D+01  0.139153D+01 -0.254099D+01
      3   0.106486D+01 -0.228946D+01 -0.305367D+01  0.284020D+01 -0.311410D+01
               126           127           128           129           130 
      1   0.284020D+01 -0.939272D+01  0.203734D+01  0.666001D+00 -0.174206D+01
      2  -0.311410D+01  0.203734D+01  0.292260D+01 -0.139955D+01  0.339111D+01
      3  -0.553158D+01  0.666001D+00 -0.139955D+01  0.231981D+01 -0.155656D+01
               131           132           133           134           135 
      1   0.339111D+01 -0.155656D+01  0.639531D+01 -0.286470D+01  0.341479D+01
      2   0.357802D+01 -0.154108D+01 -0.286470D+01  0.227290D+00 -0.386018D+01
      3  -0.154108D+01 -0.343022D+01  0.341479D+01 -0.386018D+01 -0.158831D+01
               136           137           138           139           140 
      1   0.120425D+01  0.571652D+00 -0.101764D+01  0.535854D+00  0.428700D+00
      2   0.571652D+00 -0.148179D+00 -0.224824D+00  0.428700D+00  0.842825D+00
      3  -0.101764D+01 -0.224824D+00  0.173262D+00 -0.542385D+00 -0.123784D+01
               141           142           143           144           145 
      1  -0.542385D+00 -0.148525D+01 -0.637974D+00  0.232767D+01  0.112014D+02
      2  -0.123784D+01 -0.637974D+00 -0.190472D+01  0.262623D+01  0.220777D+01
      3   0.166309D+01  0.232767D+01  0.262623D+01 -0.894986D+01  0.930471D+00
               146           147           148           149           150 
      1   0.220777D+01  0.930471D+00  0.140997D+01  0.134741D+01  0.145782D-01
      2   0.135800D+01 -0.480111D-01  0.134741D+01  0.506183D+00  0.282299D+00
      3  -0.480111D-01  0.109815D+01  0.145782D-01  0.282299D+00  0.302442D+00
               151           152           153           154           155 
      1   0.346655D+01  0.644899D+00  0.155377D+01 -0.132438D+00  0.921445D+00
      2   0.644899D+00  0.658018D+00  0.551819D+00  0.921445D+00 -0.869933D+00
      3   0.155377D+01  0.551819D+00  0.291680D-01 -0.359881D+00  0.207840D+00
               156           157           158           159           160 
      1  -0.359881D+00  0.203603D+01  0.214681D+01 -0.238478D+00 -0.376979D+00
      2   0.207840D+00  0.214681D+01  0.111949D+02 -0.199639D+01 -0.149484D+00
      3   0.100680D+00 -0.238478D+00 -0.199639D+01  0.124574D+01  0.807081D+00
               161           162           163           164           165 
      1  -0.149484D+00  0.807081D+00  0.252581D+01  0.131737D+01  0.164952D+01
      2  -0.356887D+01  0.227548D+01  0.131737D+01  0.926194D+00  0.950316D+00
      3   0.227548D+01 -0.621852D+00  0.164952D+01  0.950316D+00  0.153270D+01
               166           167           168           169           170 
      1   0.897915D+00  0.184295D+01  0.792080D+00  0.442404D+01  0.291339D+01
      2   0.184295D+01  0.311092D+01  0.154641D+01  0.291339D+01  0.343970D+01
      3   0.792080D+00  0.154641D+01  0.120666D+01  0.316451D+01  0.374109D+01
               171           172           173           174           175 
      1   0.316451D+01  0.500924D+00  0.270451D+00  0.590914D+00  0.102768D+01
      2   0.374109D+01  0.270451D+00 -0.580836D+00  0.126788D+00 -0.414484D+00
      3   0.695212D+01  0.590914D+00  0.126788D+00 -0.994224D+00  0.487375D+00
               176           177           178           179           180 
      1  -0.414484D+00  0.487375D+00  0.962632D+00 -0.218689D-01  0.416436D+00
      2   0.968828D+00  0.117636D+01 -0.218689D-01  0.150689D+01  0.117355D+01
      3   0.117636D+01  0.280978D+01  0.416436D+00  0.117355D+01  0.611589D+01
               181           182           183           184           185 
      1   0.139063D+02 -0.348082D+01  0.107196D+01 -0.135719D+01  0.142306D+01
      2  -0.348082D+01  0.178865D+01 -0.442655D+00  0.142306D+01 -0.124956D+01
      3   0.107196D+01 -0.442655D+00  0.125612D+01  0.806047D-01  0.231187D+00
               186           187           188           189           190 
      1   0.806047D-01 -0.177642D+01  0.616728D+00  0.954962D+00 -0.161984D+00
      2   0.231187D+00  0.616728D+00 -0.483154D+00  0.333536D-01 -0.102245D+01
      3   0.196794D+00  0.954962D+00  0.333536D-01  0.341492D-01  0.424516D-01
               191           192           193           194           195 
      1  -0.102245D+01  0.424516D-01 -0.144995D+01 -0.318389D+00  0.141873D-01
      2  -0.222786D+01  0.851862D+00 -0.318389D+00 -0.786618D+01  0.206039D+01
      3   0.851862D+00 -0.976804D+00  0.141873D-01  0.206039D+01 -0.133901D+01
               196           197           198 
      1  -0.371269D+00  0.277377D+00 -0.253956D+00
      2   0.277377D+00  0.108590D+01 -0.982885D+00
      3  -0.253956D+00 -0.982885D+00  0.103686D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.226385D+01  0.865359D+00 -0.472027D+01  0.290760D+01 -0.542964D+00
      2   0.272322D+01  0.195401D+01  0.475938D+01 -0.264789D+01 -0.318309D+01
      3  -0.656373D+01 -0.116161D+02 -0.121649D+01  0.868155D+01 -0.384883D+01
                 6             7             8             9            10 
      1  -0.878164D+00 -0.839600D+01  0.501330D+01  0.230001D+01  0.674626D+00
      2   0.774256D+01 -0.538033D-01  0.112888D+02  0.391785D+01 -0.948409D+00
      3   0.167896D+01  0.289204D+01  0.362504D+01 -0.491143D+01  0.541856D+01
                11            12            13            14            15 
      1   0.298697D+00  0.239788D+01 -0.381040D+00 -0.291773D+01  0.277436D+01
      2  -0.183527D+00  0.901532D+01 -0.398408D+01  0.115556D+01 -0.317398D+01
      3  -0.992107D+01 -0.272055D+00  0.120692D+02  0.395386D+01 -0.215846D+01
                16            17            18            19            20 
      1   0.487430D+01  0.112137D+02  0.234444D+01  0.969269D+00 -0.117807D+01
      2   0.794383D+01 -0.550686D+01 -0.486174D+01 -0.512015D+01  0.314588D+01
      3   0.379734D+01 -0.145077D+01  0.212636D+01  0.955863D+01 -0.593771D+01
                21            22            23            24            25 
      1   0.360350D+01 -0.881851D+00  0.123890D+01 -0.387381D+01  0.375332D+01
      2  -0.193315D+01  0.167139D+01  0.725435D+00  0.244862D+01 -0.144834D+02
      3  -0.380051D+01  0.629881D+01 -0.776100D+01  0.167894D+00 -0.365102D+01
                26            27            28            29            30 
      1   0.431824D+00 -0.160758D+01  0.309486D+00  0.810935D-02  0.203304D+01
      2   0.312452D+01  0.380093D+01  0.263824D+01 -0.393550D+01 -0.163267D+01
      3   0.979038D+00 -0.569027D+01 -0.611845D+01  0.139530D+02  0.206829D+01
                31            32            33            34            35 
      1   0.407421D+00 -0.349661D+01 -0.129736D+01  0.388326D+01  0.101783D+02
      2  -0.214768D+01  0.762088D+00  0.256292D+00 -0.148459D+02 -0.409822D+00
      3   0.121438D+02 -0.110670D+02  0.167821D+01 -0.473390D+00 -0.174442D+01
                36            37            38            39            40 
      1   0.758447D+00 -0.214807D+01 -0.249781D+00 -0.162521D+01  0.538265D+00
      2   0.791340D+00 -0.122790D-01  0.137706D+00 -0.169575D+01  0.443349D+01
      3  -0.248795D+01 -0.254349D+01  0.103367D+02  0.271895D+01  0.121096D+02
                41            42            43            44            45 
      1  -0.806999D+00 -0.531048D+00 -0.411622D+01  0.764506D+01  0.163638D+01
      2  -0.310600D+01 -0.128227D+01 -0.141816D+02 -0.751148D+00 -0.124324D+00
      3   0.200407D+02  0.149602D+01 -0.128682D+01  0.353027D+01  0.466900D+01
                46            47            48            49            50 
      1   0.910620D+00 -0.931802D+00 -0.137606D+01 -0.521067D+00  0.125801D+00
      2   0.535391D+00  0.195422D+01 -0.129149D+01  0.221057D+01  0.239631D+01
      3  -0.546642D+01 -0.152187D+02 -0.211546D+01  0.762793D-01  0.420276D+01
                51            52            53            54            55 
      1  -0.411237D+01  0.240040D+01  0.790352D+00 -0.103172D+01 -0.212956D+01
      2  -0.600086D+01 -0.111848D+02 -0.880608D+01 -0.366039D+01 -0.104388D+01
      3  -0.170826D+01 -0.226836D+01 -0.227551D+01  0.562532D+01 -0.130287D+00
                56            57            58            59            60 
      1   0.731999D+00 -0.331929D+01  0.333742D+00  0.475497D+01  0.679786D+00
      2   0.358366D+01 -0.182028D+01  0.450538D+01  0.411439D+00  0.686646D+01
      3  -0.397769D+01  0.758165D+00  0.104171D+02  0.132650D+02 -0.534516D+01
                61            62            63            64            65 
      1  -0.675737D+01  0.742594D+01  0.355302D+00  0.449873D+01 -0.222905D+01
      2  -0.160258D+02  0.104345D+02  0.125730D+01 -0.131117D+02 -0.912452D+00
      3   0.237190D+01 -0.579546D+01 -0.509646D+01  0.235216D+00 -0.115271D+02
                66            67            68            69            70 
      1  -0.754700D+00 -0.842304D+00 -0.243792D+01  0.141597D+01  0.119833D+01
      2   0.153031D+01  0.411010D+00 -0.647014D+00 -0.413140D+01 -0.945911D+01
      3  -0.381675D+01 -0.742403D+01 -0.767734D+01  0.531720D+01 -0.690387D+01
                71            72            73            74            75 
      1   0.566331D+01 -0.468611D+01  0.186027D+01  0.534459D+01  0.422618D+01
      2  -0.789366D+01  0.138853D+02  0.142869D+00 -0.166130D+01 -0.239535D+00
      3   0.346857D+01  0.577222D+01 -0.513102D+01 -0.404858D+01  0.109730D+01
                76            77            78            79            80 
      1   0.199914D+01 -0.900497D+01  0.853336D+00  0.113136D+02  0.141869D+02
      2  -0.190419D+01  0.307594D+01  0.141214D+00 -0.872139D+01 -0.292422D+01
      3   0.119878D+02 -0.100804D+01 -0.794523D+01 -0.518729D+00 -0.145363D+02
                81            82            83            84            85 
      1   0.105985D+02  0.277922D+00  0.470033D+00 -0.230937D+01 -0.430331D+00
      2  -0.359939D+01 -0.515769D+00 -0.430870D+00  0.357753D+01  0.928807D+00
      3  -0.566849D+01 -0.191804D+01 -0.557319D+01  0.253406D-01 -0.414784D+01
                86            87            88            89            90 
      1  -0.686180D-01 -0.263011D+01  0.126024D+01  0.142125D+01 -0.218636D+00
      2   0.996194D+00  0.296942D+01 -0.160593D+01 -0.110665D+01  0.170288D+00
      3  -0.898996D+01 -0.824609D+00 -0.111662D+01 -0.169905D+01  0.173137D+00
                91            92            93            94            95 
      1  -0.202603D+00 -0.592809D+00  0.118510D+01 -0.273716D-01  0.197900D+00
      2  -0.192923D+01  0.394114D+00  0.585780D+01  0.167342D+01 -0.780019D+00
      3   0.199712D+01 -0.546155D+01 -0.303515D+00 -0.411346D+01  0.286346D+01
                96            97            98            99           100 
      1  -0.755391D+00 -0.913643D+00  0.582175D+00 -0.120212D+00  0.290993D+00
      2  -0.169632D+01 -0.248214D+01  0.595537D+00 -0.567257D+00  0.677025D+00
      3   0.750549D+00 -0.186252D+01  0.150124D+01  0.855732D-01 -0.389418D+01
               101           102           103           104           105 
      1   0.521211D-01  0.965933D+00 -0.264533D+00  0.819337D+00 -0.462598D+01
      2  -0.100856D+01  0.341370D-01 -0.132341D+01  0.253154D+01  0.571948D+00
      3   0.409579D+01  0.109367D+01  0.633240D+01 -0.129640D+02 -0.307452D+01
               106           107           108           109           110 
      1  -0.282095D+00  0.220159D+01 -0.649057D+00 -0.195037D+00  0.152528D+00
      2  -0.130495D+01  0.616135D+00 -0.822637D-01 -0.362850D+00  0.447921D+00
      3   0.148004D+01 -0.333795D+01 -0.449437D+00  0.806878D+00 -0.118305D+01
               111           112           113           114           115 
      1   0.115571D+01  0.130285D+00  0.647965D+00 -0.461835D+01 -0.335212D+00
      2   0.105054D+01  0.182558D+00 -0.334519D+01 -0.262917D+01 -0.815151D+00
      3  -0.339026D+00  0.597221D+00  0.149902D+02  0.309587D+01 -0.180865D+00
               116           117           118           119           120 
      1   0.201679D+01 -0.680553D+00 -0.855463D+00 -0.525818D+00  0.157744D+01
      2  -0.377517D-01 -0.352535D+00 -0.103844D+01  0.452625D+00  0.308310D+01
      3   0.339233D+01  0.276666D+00  0.119953D+01 -0.338001D+01  0.137044D+00
               121           122           123           124           125 
      1   0.330539D+00  0.534791D+00 -0.297469D+01  0.233095D+01  0.966809D+00
      2  -0.108891D+00 -0.260875D+01 -0.552910D+01  0.169291D+01 -0.429418D+01
      3   0.916000D+00  0.344562D+01  0.385923D+01  0.105125D+01  0.504092D+01
               126           127           128           129           130 
      1  -0.383799D+01  0.321505D+01  0.192131D+01  0.321310D+01 -0.189326D+01
      2  -0.841281D+01  0.125336D+02 -0.732993D+01  0.865826D+01 -0.712421D+01
      3   0.406135D+01  0.103425D+02 -0.145936D+02  0.194206D+01 -0.597124D+01
               131           132           133           134           135 
      1   0.417534D+01 -0.119469D+02  0.294091D+01 -0.657774D+01 -0.686375D+01
      2  -0.593437D+01 -0.799423D+01  0.628715D+01 -0.849673D+01 -0.622936D+01
      3  -0.186434D+02  0.775903D+01 -0.182462D+00  0.748761D+01  0.518984D+01
               136           137           138           139           140 
      1   0.185805D-01  0.723264D+00  0.341787D-01  0.870957D+00  0.679990D-02
      2  -0.400284D+00 -0.115920D+00  0.811309D+00 -0.379386D+00 -0.254878D+01
      3  -0.748979D+00  0.728668D+00 -0.192586D+00  0.293634D+01 -0.110890D+01
               141           142           143           144           145 
      1  -0.143499D+01 -0.142672D+01  0.220485D+01  0.677428D+01 -0.245789D+01
      2   0.348449D+01  0.951605D+00  0.491615D+01 -0.189562D+02  0.937698D+01
      3   0.232989D+01 -0.983494D+00  0.520214D+01 -0.288538D+01  0.686453D+01
               146           147           148           149           150 
      1  -0.810735D+00 -0.161558D+01 -0.835136D+00 -0.490431D+00 -0.131900D+01
      2   0.129289D+01  0.654808D+01  0.991021D+00  0.154701D+01  0.115407D+01
      3  -0.562740D+01  0.118723D+01 -0.586697D+00  0.221213D+00 -0.124834D+01
               151           152           153           154           155 
      1  -0.183906D+01 -0.793791D-01 -0.804829D+00  0.411882D+00 -0.941177D+00
      2   0.458136D+01  0.161416D+01  0.172300D+01  0.252059D+00  0.603238D+00
      3   0.254979D+01 -0.274202D+01  0.210734D+00 -0.140802D+01  0.127008D+00
               156           157           158           159           160 
      1  -0.228259D-01  0.220415D+01  0.664027D+01 -0.598161D+01 -0.222825D+01
      2   0.114736D+01 -0.687045D+00 -0.252605D+01  0.134699D+01  0.329022D+00
      3  -0.135741D+01  0.474019D+01 -0.905416D+01  0.235121D+01 -0.208799D+01
               161           162           163           164           165 
      1  -0.461762D+01  0.232486D+01 -0.343720D+01 -0.137581D+01 -0.386712D+01
      2   0.160205D+01 -0.853791D+00 -0.564001D+00  0.775744D+00  0.273491D+01
      3   0.523145D+01 -0.982413D+00  0.658127D+01  0.357103D+00  0.232757D+01
               166           167           168           169           170 
      1  -0.151423D+01 -0.168087D+01 -0.323376D+01 -0.750789D+01 -0.592169D+01
      2   0.693755D+00  0.111475D+01  0.150984D+01  0.140986D+01  0.322257D+01
      3  -0.312018D+00 -0.194544D+00  0.176922D+00  0.730961D+01  0.239964D+01
               171           172           173           174           175 
      1  -0.161490D+02  0.132301D+01 -0.144692D+01 -0.144645D+01 -0.615099D+00
      2   0.682268D+01  0.160296D+01 -0.263988D+00 -0.236491D+01 -0.972897D+00
      3   0.259437D+01 -0.966057D+00  0.900073D+00 -0.672975D+00  0.109586D+01
               176           177           178           179           180 
      1   0.514752D+01  0.487988D+01 -0.191339D+00  0.686670D+01  0.107581D+02
      2   0.364691D+01  0.675348D+01 -0.315919D+01  0.378057D+01  0.143801D+02
      3  -0.259479D+01 -0.361860D+01 -0.582516D+00 -0.437373D+01 -0.379456D+01
               181           182           183           184           185 
      1   0.267319D+00  0.104532D+01  0.253292D+01  0.885700D+00 -0.582108D+00
      2  -0.797573D+01  0.925185D+00  0.637900D+01  0.131194D+01 -0.157800D-01
      3  -0.143918D+02 -0.320103D+01 -0.252084D+00  0.881377D-01  0.185687D+01
               186           187           188           189           190 
      1  -0.217881D+00  0.121729D+01  0.101882D+01  0.222818D+00 -0.133808D+01
      2   0.720279D-01  0.136269D+01  0.314379D+00 -0.422819D+00  0.142524D+01
      3  -0.566212D+00  0.693468D+00 -0.333217D+00 -0.187557D+01  0.544161D+01
               191           192           193           194           195 
      1  -0.133136D+01 -0.186809D+01 -0.128641D+01 -0.491229D+01 -0.283161D+01
      2   0.282677D+01 -0.154960D+01  0.226634D+01  0.633187D+01 -0.288008D+01
      3   0.718221D+01 -0.167694D+01  0.730482D+01  0.209090D+02 -0.528965D+01
               196           197           198 
      1  -0.344197D+00  0.954939D+00  0.123660D+01
      2  -0.147520D+01 -0.211902D+01  0.249219D+01
      3  -0.467910D-01 -0.356989D+01  0.305739D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.393209D+01 -0.236910D+02 -0.366085D+01  0.312132D+02  0.827035D+00
      2  -0.144176D+01  0.162911D+02 -0.220172D+01 -0.311803D+02 -0.464152D+01
      3   0.537385D+01  0.739996D+01  0.586257D+01 -0.328679D-01  0.381449D+01
      4  -0.201799D+02  0.118117D+02  0.539578D+01  0.202479D+01 -0.157693D+02
      5   0.208429D+01  0.343150D+01  0.113495D+02 -0.684866D+01 -0.923215D+01
      6   0.266886D+01  0.263825D+01  0.107700D+02 -0.888365D+01 -0.509639D+01
                 6             7             8             9            10 
      1  -0.109664D+00  0.118920D+02  0.391456D+01  0.666123D+01 -0.109681D+02
      2   0.251440D+01 -0.129639D+02 -0.647049D+01 -0.111786D+02  0.586776D+01
      3  -0.240473D+01  0.107194D+01  0.255593D+01  0.451737D+01  0.510032D+01
      4  -0.115310D+02 -0.197646D+01 -0.107307D+02  0.139385D+02  0.694415D+01
      5   0.160203D+02  0.274495D+02  0.160779D+02  0.814467D+01  0.739231D+01
      6   0.317676D+01  0.863740D+01  0.122196D+02 -0.296257D+01 -0.145322D+00
                11            12            13            14            15 
      1   0.739418D+01  0.837347D+01 -0.232594D+02 -0.194424D+02 -0.714061D+01
      2  -0.441940D+01 -0.238711D+01  0.205964D+02  0.188524D+02  0.932358D+01
      3  -0.297478D+01 -0.598636D+01  0.266301D+01  0.589931D+00 -0.218297D+01
      4   0.253155D+02 -0.864112D+00 -0.225275D+02  0.130464D+02  0.878867D+01
      5  -0.103317D+01  0.194979D+02 -0.126466D+02  0.591435D+01 -0.685871D+01
      6   0.148736D+00 -0.508870D+01  0.730662D+01  0.457793D+01 -0.522414D+01
                16            17            18            19            20 
      1   0.460436D+01 -0.932746D+01  0.132480D+02  0.102532D+02  0.545713D+01
      2   0.238732D+01  0.657150D+01 -0.187083D+02 -0.789991D+01 -0.689021D+01
      3  -0.699168D+01  0.275597D+01  0.546033D+01 -0.235330D+01  0.143307D+01
      4  -0.142793D+02  0.395674D+01 -0.410196D+01  0.819755D+01 -0.237300D+02
      5   0.358080D+02 -0.615976D+01 -0.100753D+02 -0.252995D+01 -0.167750D+01
      6  -0.200670D+01  0.705134D+01 -0.362259D+01 -0.646566D+00  0.206986D+01
                21            22            23            24            25 
      1  -0.201163D+01  0.511397D+01  0.107904D+02  0.574412D+01 -0.155539D+01
      2   0.277516D+01  0.107135D+01 -0.168055D+02 -0.933256D+01  0.162169D+01
      3  -0.763533D+00 -0.618532D+01  0.601510D+01  0.358844D+01 -0.663032D-01
      4  -0.381960D+01  0.186314D+02  0.108671D+02  0.621577D+00  0.122912D+01
      5  -0.647923D+01  0.545663D+00  0.100327D+01  0.346301D+01  0.226676D+01
      6  -0.736803D+01  0.360213D+01 -0.135544D+02  0.581792D+01 -0.743953D-01
                26            27            28            29            30 
      1   0.405245D+01 -0.150792D+02 -0.216014D+02  0.942038D+01  0.285904D+01
      2  -0.108600D+02  0.324630D+00  0.137295D+02 -0.534276D+01 -0.227647D+00
      3   0.680759D+01  0.147546D+02  0.787192D+01 -0.407762D+01 -0.263140D+01
      4   0.337034D+01  0.980877D+01 -0.132958D+02  0.119220D+02  0.362100D+00
      5   0.869557D+01  0.815803D+01  0.503402D+01 -0.166100D+01 -0.121380D+01
      6   0.139519D+02  0.622227D+01 -0.361569D+01  0.967465D-01 -0.282409D+01
                31            32            33            34            35 
      1  -0.120076D+01 -0.120012D+01 -0.426935D+00  0.907209D+01 -0.146440D+01
      2   0.634569D+01  0.791951D+01  0.174533D+01 -0.121295D+01 -0.568969D+00
      3  -0.514493D+01 -0.671938D+01 -0.131839D+01 -0.785914D+01  0.203337D+01
      4  -0.214853D+01  0.782308D+01  0.475004D+00 -0.460902D+01  0.108219D+01
      5  -0.301543D+01 -0.106304D+01 -0.520257D+00  0.460265D+01 -0.787771D+00
      6   0.468469D+01  0.229836D+01  0.219437D+01 -0.156691D+01  0.701117D+01
                36            37            38            39            40 
      1  -0.888715D+01 -0.150176D+02 -0.255248D+02 -0.476298D+01 -0.819428D+01
      2  -0.311823D+01  0.107039D+02  0.176264D+02  0.297820D+01 -0.838028D+00
      3   0.120054D+02  0.431367D+01  0.789843D+01  0.178478D+01  0.903231D+01
      4  -0.338917D+01 -0.397063D+01 -0.566644D+01  0.208126D+01  0.239535D+01
      5   0.740743D+00 -0.862015D+00  0.240125D+01 -0.133868D+01  0.523979D+01
      6  -0.883194D-01  0.670136D+01  0.388247D+01  0.323209D+01 -0.585521D+01
                41            42            43            44            45 
      1  -0.103997D+02  0.316313D+01 -0.318355D+00  0.595289D+01 -0.106818D+02
      2   0.108914D+02  0.285329D+00 -0.982130D+00 -0.444933D+01  0.113671D+01
      3  -0.491716D+00 -0.344846D+01  0.130048D+01 -0.150356D+01  0.954505D+01
      4  -0.518592D+01 -0.181016D+01  0.109699D+01  0.139493D+00 -0.174463D+01
      5  -0.136329D+01 -0.184922D+01  0.539954D+01 -0.315501D+01  0.128523D+00
      6   0.309573D+00  0.248447D+01  0.607879D+00  0.942143D+01 -0.144817D+01
                46            47            48            49            50 
      1   0.147593D+02  0.161034D+02 -0.166028D+01 -0.197135D+02  0.143340D+02
      2  -0.124074D+02 -0.106141D+02 -0.141799D+01  0.172711D+02 -0.211534D+02
      3  -0.235192D+01 -0.548929D+01  0.307826D+01  0.244240D+01  0.681942D+01
      4   0.572946D+01 -0.163864D+02 -0.551523D+01  0.135321D+02 -0.215871D+01
      5   0.369408D+01 -0.471202D+01 -0.561738D+01  0.118895D+01  0.502603D+01
      6  -0.675610D+01  0.195513D+01  0.127429D+01  0.410962D+01 -0.122737D+02
                51            52            53            54            55 
      1   0.375925D+01 -0.634673D+01 -0.116028D+01 -0.764016D+01  0.219482D+02
      2  -0.825665D+01  0.819991D+01 -0.748294D+01 -0.427884D+01 -0.107045D+02
      3   0.449740D+01 -0.185318D+01  0.864322D+01  0.119190D+02 -0.112437D+02
      4   0.527847D+01 -0.261773D+01  0.106557D+02 -0.140020D+02  0.134803D+02
      5  -0.112337D+02  0.864338D+01 -0.132545D+02 -0.747409D+01 -0.214427D+01
      6   0.700723D+01 -0.444095D+01  0.129827D+02  0.309788D+01  0.375971D+01
                56            57            58            59            60 
      1  -0.571843D+01  0.382908D+01 -0.492754D+01 -0.600347D+01  0.447715D+01
      2   0.325524D+01 -0.180765D+01 -0.483379D+00  0.508592D+01 -0.521824D+01
      3   0.246319D+01 -0.202143D+01  0.541092D+01  0.917549D+00  0.741086D+00
      4  -0.140858D+02  0.320591D+01 -0.269309D+02 -0.571937D+01  0.638840D+01
      5   0.382386D+01 -0.121963D+02  0.641861D+01  0.774106D+01  0.166011D+02
      6  -0.212436D+01  0.920297D+01  0.300141D+01 -0.467178D+01 -0.144155D+02
                61            62            63            64            65 
      1  -0.728472D+01  0.700558D+01  0.153559D+01 -0.361942D+02 -0.135016D+02
      2   0.562655D-01  0.949193D+00 -0.145887D+01  0.116076D+02  0.101250D+02
      3   0.722845D+01 -0.795477D+01 -0.767169D-01  0.245866D+02  0.337659D+01
      4   0.132304D+02 -0.178622D+01  0.255633D+02 -0.172395D+02  0.128561D+01
      5  -0.267540D+02  0.232138D+02  0.566622D+01 -0.112616D+02  0.106086D+00
      6   0.206792D+02 -0.175007D+02 -0.923912D+01 -0.395047D+01  0.764739D+00
                66            67            68            69            70 
      1  -0.119534D+02 -0.105142D+02  0.703044D+01  0.433856D-01 -0.224409D+02
      2   0.763903D+01  0.960122D+01  0.870960D+00 -0.644086D+01  0.947874D+01
      3   0.431441D+01  0.912927D+00 -0.790140D+01  0.639747D+01  0.129621D+02
      4  -0.316407D+01  0.461610D+01  0.143609D+02 -0.422168D+01 -0.804342D+01
      5   0.316993D+01  0.234040D+01 -0.675931D+01 -0.660108D+01 -0.111729D+01
      6   0.370357D+00 -0.232936D+01 -0.212617D+01 -0.395419D+01 -0.362157D+01
                71            72            73            74            75 
      1  -0.217608D+01  0.665927D+01  0.397306D+01  0.116588D+02  0.864159D+01
      2  -0.993616D+01  0.129626D+02  0.392949D+01 -0.465443D+01 -0.746705D+01
      3   0.121122D+02 -0.196219D+02 -0.790255D+01 -0.700435D+01 -0.117454D+01
      4   0.223447D+01 -0.123127D+02  0.258915D+01  0.233129D+00 -0.327799D+01
      5  -0.113401D+02  0.260208D+02 -0.721284D-01 -0.515656D+01 -0.763722D+01
      6  -0.647582D+00  0.178250D+02 -0.457570D+01 -0.906567D+01 -0.814486D+01
                76            77            78            79            80 
      1   0.224242D+02  0.289374D+02 -0.792748D+01  0.151726D+02 -0.679656D+01
      2  -0.197766D+02 -0.427021D+02  0.143701D+02 -0.654581D+01  0.209061D+02
      3  -0.264757D+01  0.137647D+02 -0.644262D+01 -0.862682D+01 -0.141095D+02
      4  -0.286648D+01 -0.114184D+02  0.149685D+01 -0.695210D+01 -0.213867D+01
      5  -0.765774D+01  0.247606D+01 -0.193072D+01 -0.128487D+02 -0.106312D+02
      6  -0.314477D+01  0.127112D+02 -0.606451D+01 -0.180270D+02 -0.197517D+02
                81            82            83            84            85 
      1   0.126354D+02  0.399412D+02  0.213667D+02  0.230301D+01  0.164386D+02
      2  -0.794996D+01 -0.130867D+02 -0.376423D+01 -0.893625D+00  0.201662D+01
      3  -0.468547D+01 -0.268545D+02 -0.176025D+02 -0.140938D+01 -0.184552D+02
      4  -0.119365D+02  0.437365D+02  0.330738D+02  0.242120D+01  0.376972D+02
      5  -0.157467D+02  0.507596D+01  0.271739D+01  0.642358D+01  0.566373D+01
      6  -0.209066D+02  0.595731D+00  0.545808D+00  0.284887D+01  0.265200D+01
                86            87            88            89            90 
      1   0.110947D+02  0.156387D+01 -0.879805D-01  0.274218D+00  0.450942D+00
      2   0.780221D+01 -0.474114D+00  0.152652D+01  0.148254D+01  0.510175D+00
      3  -0.188969D+02 -0.108976D+01 -0.143854D+01 -0.175675D+01 -0.961117D+00
      4   0.388486D+02  0.464397D+01  0.438101D+01  0.482929D+01  0.208654D+01
      5   0.536531D+01  0.451949D+01  0.166687D+01  0.975107D+00  0.518073D+00
      6   0.256034D+01  0.432697D+01  0.107553D+01  0.134767D+01  0.127129D+01
                91            92            93            94            95 
      1   0.942138D+02 -0.169202D+02 -0.101470D+02 -0.152308D+02  0.112776D+02
      2  -0.531292D+02  0.857421D+01  0.685922D+01  0.669759D+01 -0.473030D+01
      3  -0.410845D+02  0.834604D+01  0.328777D+01  0.853323D+01 -0.654731D+01
      4  -0.268476D+02  0.129110D+02  0.305567D+01  0.200979D+02 -0.939903D+01
      5  -0.154424D+02  0.291920D+01  0.103576D+02  0.572989D+01 -0.306466D+01
      6   0.132766D+00 -0.662114D+00 -0.120764D+01 -0.176891D+01  0.661628D+00
                96            97            98            99           100 
      1   0.312726D+01 -0.119331D+02  0.384930D+01  0.301856D+01 -0.397801D+01
      2  -0.230541D+01  0.650788D+01 -0.211101D+01 -0.162575D+01  0.561353D+01
      3  -0.821857D+00  0.542527D+01 -0.173829D+01 -0.139282D+01 -0.163552D+01
      4  -0.290513D+01  0.648617D+01 -0.317962D+01 -0.177680D+01 -0.210926D+00
      5  -0.266766D+01  0.340944D+01 -0.788710D+00 -0.212286D+01  0.985687D-01
      6   0.223966D+01 -0.573914D+00  0.901730D+00  0.811605D+00  0.216164D+01
               101           102           103           104           105 
      1   0.720165D+01  0.254657D+01  0.399810D+01 -0.402215D+02 -0.957768D+01
      2  -0.744432D+01 -0.183283D+01 -0.393511D+01  0.547422D+02  0.982365D+01
      3   0.242674D+00 -0.713742D+00 -0.629809D-01 -0.145207D+02 -0.245962D+00
      4   0.757715D+01  0.123448D+01  0.547643D+01  0.115953D+02  0.305080D+01
      5   0.976910D+00  0.168258D+01  0.983143D+00  0.387891D+01  0.163966D+01
      6  -0.324723D+01 -0.156669D+01 -0.928434D+00  0.169274D+02  0.101793D+02
               106           107           108           109           110 
      1   0.115753D+01 -0.928591D+01 -0.369621D+01  0.189007D+01 -0.259610D+01
      2  -0.110945D+01  0.114466D+02  0.419231D+01  0.353679D+01 -0.357415D+01
      3  -0.480788D-01 -0.216064D+01 -0.496101D+00 -0.542686D+01  0.617025D+01
      4   0.123466D+01  0.189832D+01 -0.752065D+00 -0.126752D+02  0.172074D+02
      5   0.730062D+00  0.314649D+00 -0.357577D+00 -0.287104D+01  0.370527D+01
      6  -0.346489D+00  0.623315D+01  0.369432D+01  0.262024D+01 -0.304976D+01
               111           112           113           114           115 
      1  -0.313699D+00  0.275720D+01 -0.242877D+02 -0.519153D+01  0.150838D+00
      2  -0.368935D+00 -0.102854D+02  0.437158D+02  0.653309D+01 -0.186220D+01
      3   0.682635D+00  0.752816D+01 -0.194281D+02 -0.134156D+01  0.171136D+01
      4   0.392221D+01  0.192359D+02 -0.430297D+02 -0.903820D+01  0.505838D+01
      5   0.350288D+01  0.395963D+01 -0.814533D+01 -0.489613D+01  0.149969D+01
      6  -0.209502D+01 -0.450989D+01  0.140267D+02  0.936509D+01 -0.173227D+01
               116           117           118           119           120 
      1  -0.431171D+01 -0.273587D+01  0.488512D+01 -0.206308D+01 -0.325690D+01
      2   0.753241D+01  0.358048D+01 -0.403570D+01  0.116232D+01  0.258125D+01
      3  -0.322070D+01 -0.844609D+00 -0.849424D+00  0.900765D+00  0.675651D+00
      4  -0.103953D+02 -0.258715D+01 -0.899482D+01  0.100670D+02  0.479511D+01
      5  -0.233740D+01 -0.151647D+01 -0.854994D+01  0.427256D+01  0.120816D+02
      6   0.538318D+01  0.370405D+01  0.571100D+01 -0.279303D+01 -0.450361D+01
               121           122           123           124           125 
      1   0.988643D+00 -0.625531D+01 -0.560079D+01 -0.424330D+00 -0.572465D+01
      2  -0.115469D+01  0.625995D+01  0.342647D+01  0.374539D+01  0.264994D+00
      3   0.166045D+00 -0.464072D-02  0.217432D+01 -0.332106D+01  0.545966D+01
      4   0.150184D+02 -0.149583D+02 -0.989213D+01  0.848295D+01 -0.108088D+02
      5   0.638528D+01 -0.987837D+01 -0.131787D+02  0.172358D+02 -0.131878D+02
      6  -0.628727D+01  0.132206D+02  0.154801D+02 -0.104166D+02  0.150109D+02
               126           127           128           129           130 
      1  -0.986339D+01 -0.586652D+02  0.241147D+02 -0.550476D+01  0.135019D+02
      2  -0.582338D+01  0.227449D+02 -0.201008D+02  0.116020D+01 -0.105335D+02
      3   0.156868D+02  0.359203D+02 -0.401397D+01  0.434455D+01 -0.296847D+01
      4  -0.136245D+02  0.312092D+02  0.610971D+01 -0.519268D+01  0.134889D+02
      5  -0.233590D+02 -0.695449D+01 -0.209638D+01  0.116816D+02 -0.587004D+01
      6   0.201717D+02 -0.220255D+01  0.827014D+01 -0.630302D+01  0.710611D+01
               131           132           133           134           135 
      1   0.238540D+02 -0.101834D+01  0.418400D+01 -0.260526D+01  0.797000D+01
      2  -0.257875D+02  0.167187D+02 -0.365752D+01  0.123568D+02  0.811328D+01
      3   0.193345D+01 -0.157004D+02 -0.526486D+00 -0.975150D+01 -0.160833D+02
      4   0.556681D+01 -0.486141D+01 -0.176640D+02  0.247186D+01 -0.236685D+02
      5  -0.697188D+00 -0.159040D+02  0.205750D+02 -0.200218D+02 -0.291388D+01
      6   0.924736D+01  0.584088D+01 -0.141373D+02  0.882207D+01 -0.489686D+01
               136           137           138           139           140 
      1   0.488409D+01  0.359168D+01 -0.416688D+01  0.151752D+01 -0.526247D+01
      2  -0.487813D+01 -0.235272D+01  0.242235D+01 -0.134702D+01  0.131792D+01
      3  -0.595498D-02 -0.123896D+01  0.174452D+01 -0.170501D+00  0.394456D+01
      4   0.410490D+01  0.152638D+01 -0.313539D+01  0.459441D+01  0.367934D+01
      5  -0.531758D+01 -0.268381D+01  0.675809D+01 -0.347137D+01 -0.522475D+01
      6  -0.281315D+01 -0.521708D+00 -0.188588D+00 -0.233566D+01 -0.653449D+01
               141           142           143           144           145 
      1   0.362161D+01 -0.341201D+01  0.454170D+01 -0.138734D+02  0.681071D+02
      2  -0.210894D+00  0.831578D+01  0.253646D+01 -0.205399D+02 -0.329036D+02
      3  -0.341072D+01 -0.490376D+01 -0.707816D+01  0.344133D+02 -0.352035D+02
      4  -0.618532D+01 -0.628999D+01 -0.969437D+01  0.128223D+02  0.271279D+02
      5   0.685186D+01  0.160647D+02  0.116570D+02 -0.389267D+02  0.193213D+01
      6   0.114524D+02  0.652712D+01  0.105679D+02 -0.229527D+02  0.821148D+00
               146           147           148           149           150 
      1   0.104916D+02  0.621115D+01  0.555506D+01  0.582395D+01  0.118357D+00
      2  -0.328427D+01 -0.209094D+01 -0.146329D+00 -0.458029D+00  0.134688D+01
      3  -0.720736D+01 -0.412021D+01 -0.540873D+01 -0.536593D+01 -0.146524D+01
      4   0.147595D+02  0.138468D+01  0.130452D+02  0.538839D+01  0.190923D+01
      5  -0.536930D+00  0.919239D+01 -0.234832D+00  0.157304D+01  0.160541D+01
      6  -0.358417D+00  0.254003D+01 -0.231313D+00  0.903263D+00  0.214271D+01
               151           152           153           154           155 
      1   0.162217D+02  0.238428D+01  0.598251D+01 -0.343690D+00  0.515866D+01
      2  -0.779113D+01  0.106345D+01 -0.530415D+01  0.323859D+01 -0.592270D+01
      3  -0.843059D+01 -0.344774D+01 -0.678352D+00 -0.289490D+01  0.764043D+00
      4   0.746839D+01  0.469697D+01  0.458359D+01  0.156338D+01  0.839612D+01
      5   0.107389D+02  0.321078D+01  0.217625D+01 -0.485950D+00 -0.665392D+00
      6   0.298173D+01  0.196909D+01 -0.294550D+00 -0.263522D+01  0.136409D+01
               156           157           158           159           160 
      1  -0.218715D+01 -0.525981D+01 -0.420207D+02  0.768403D+01 -0.105836D+01
      2   0.158960D+01  0.917841D+01  0.680464D+02 -0.121822D+02 -0.177739D+01
      3   0.597558D+00 -0.391860D+01 -0.260257D+02  0.449814D+01  0.283575D+01
      4  -0.173722D+01  0.100867D+02  0.191249D+02 -0.316951D+01 -0.347057D+01
      5   0.304145D+01 -0.149447D+01 -0.295287D+01  0.278465D+01  0.397183D+01
      6   0.168968D+00 -0.269454D+01 -0.164034D+02  0.103254D+02  0.499166D+01
               161           162           163           164           165 
      1   0.139121D+02 -0.894873D+01  0.183775D+01 -0.113103D+01 -0.163939D+00
      2  -0.212251D+02  0.955344D+01 -0.361776D+01  0.119530D+01  0.343190D+00
      3   0.731296D+01 -0.604711D+00  0.178001D+01 -0.642726D-01 -0.179251D+00
      4  -0.607965D+01  0.437961D+01  0.805264D+01  0.747338D+01  0.665693D+01
      5   0.442898D+01 -0.244811D+00  0.746854D+01  0.528068D+01  0.108292D+02
      6   0.163019D+02 -0.618075D+01  0.718714D+01  0.480259D+01  0.735460D+01
               166           167           168           169           170 
      1  -0.492096D+01 -0.119396D+02 -0.515806D+01 -0.523923D+01 -0.120503D+02
      2   0.636716D+01  0.138886D+02  0.416783D+01  0.315921D+00  0.674905D+01
      3  -0.144619D+01 -0.194898D+01  0.990231D+00  0.492331D+01  0.530125D+01
      4   0.557226D+01  0.858871D+01  0.515194D+01  0.131399D+02  0.112859D+02
      5   0.287270D+01  0.514759D+01  0.438017D+01  0.146463D+02  0.128302D+02
      6   0.461970D+01  0.816526D+01  0.975636D+01  0.150565D+02  0.213805D+02
               171           172           173           174           175 
      1  -0.182411D+02  0.396523D+01 -0.125819D+01  0.556564D+01  0.283445D+01
      2   0.166311D+01 -0.396488D+01  0.190558D+01 -0.188615D+00 -0.220088D+01
      3   0.165780D+02 -0.355742D-03 -0.647394D+00 -0.537703D+01 -0.633567D+00
      4   0.124102D+02 -0.751443D+00 -0.141001D+01 -0.683835D+00 -0.156785D+01
      5   0.216066D+02  0.253561D+01  0.113501D+01  0.342071D+00  0.435409D+01
      6   0.314001D+02  0.355737D+00 -0.158372D+01  0.215479D+01 -0.600911D+00
               176           177           178           179           180 
      1  -0.484839D+01 -0.299552D+01  0.498886D+01 -0.158413D+01 -0.134911D+02
      2  -0.940670D-01 -0.928783D+01 -0.326055D+01 -0.736031D+01 -0.179251D+02
      3   0.494245D+01  0.122833D+02 -0.172831D+01  0.894444D+01  0.314162D+02
      4   0.572549D+01  0.577927D+01 -0.209995D+01  0.759323D+01  0.759148D+01
      5   0.406117D+01  0.119150D+02  0.650993D+01  0.476693D+01  0.235796D+02
      6   0.162562D+01  0.609010D+00 -0.420527D+00  0.355447D+01 -0.545751D+01
               181           182           183           184           185 
      1   0.806874D+02 -0.146489D+02  0.217434D+01 -0.531103D+01  0.419594D+01
      2  -0.368254D+02  0.315873D+01 -0.338785D+01 -0.923587D+00  0.188359D+01
      3  -0.438620D+02  0.114901D+02  0.121351D+01  0.623462D+01 -0.607952D+01
      4  -0.452912D+02  0.206974D+02 -0.321243D+01  0.150512D+02 -0.978976D+01
      5   0.196661D+02 -0.502859D+01  0.119906D+02 -0.107387D+01  0.173880D+01
      6  -0.397419D+01  0.313249D+01 -0.501428D+01  0.125229D+01 -0.200864D+01
               186           187           188           189           190 
      1   0.222852D+00 -0.666355D+01  0.116252D+01  0.531561D+01  0.371581D-02
      2  -0.125254D+01  0.100469D+01 -0.212742D+00 -0.468826D+01  0.359838D+01
      3   0.102969D+01  0.565886D+01 -0.949775D+00 -0.627348D+00 -0.360210D+01
      4   0.103305D+01  0.521240D+01 -0.258797D+01 -0.187227D+01 -0.161054D+01
      5  -0.768185D-01  0.913674D+01 -0.767643D+00  0.801659D+00 -0.722720D+00
      6   0.148216D+01 -0.328912D+01  0.131779D+01  0.388001D+00 -0.140037D+01
               191           192           193           194           195 
      1  -0.126820D+02  0.430895D+01 -0.892226D+01 -0.310659D+02  0.808507D+01
      2   0.139584D+02 -0.258792D+01  0.588269D+01  0.446592D+02 -0.822108D+01
      3  -0.127639D+01 -0.172103D+01  0.303957D+01 -0.135933D+02  0.136011D+00
      4  -0.191536D+01  0.139202D+01  0.596366D+01 -0.255190D+02  0.676482D+01
      5  -0.213572D+00 -0.209942D+01 -0.336890D+01  0.445537D+01 -0.406380D+01
      6  -0.626504D+01  0.438757D+01 -0.997143D+00 -0.192614D+02  0.110963D+02
               196           197           198 
      1   0.809007D+00  0.590058D+01 -0.721819D+01
      2  -0.508750D+00 -0.471843D+01  0.368337D+01
      3  -0.300257D+00 -0.118216D+01  0.353482D+01
      4   0.982203D+00  0.318673D+01 -0.141601D+01
      5   0.851737D+00 -0.207159D+01  0.296378D+01
      6   0.176444D+01  0.964429D+01 -0.523173D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.228258D+00      0.580174D+00      0.193525D+01
   y          0.459183D-01      0.116713D+00      0.389312D+00
   z         -0.127765D-01     -0.324747D-01     -0.108324D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.137577D+03      0.203868D+02      0.226833D+02
   yx         0.142876D+01      0.211720D+00      0.235570D+00
   yy         0.117520D+03      0.174147D+02      0.193764D+02
   zx        -0.229571D+01     -0.340189D+00     -0.378512D+00
   zy         0.520228D+01      0.770898D+00      0.857740D+00
   zz         0.775956D+02      0.114985D+02      0.127938D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120993D+03      0.179293D+02      0.199490D+02
   aniso      0.581274D+02      0.861359D+01      0.958391D+01
   xx         0.150487D+03      0.222998D+02      0.248119D+02
   yx         0.166760D+01      0.247113D+00      0.274951D+00
   yy         0.127173D+03      0.188451D+02      0.209680D+02
   zx        -0.223250D+01     -0.330822D+00     -0.368089D+00
   zy         0.530479D+01      0.786089D+00      0.874642D+00
   zz         0.853188D+02      0.126429D+02      0.140672D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.69428482         -0.93176003         -4.61669748
     6         -0.38397713          1.46501030         -4.73108323
     6          1.20186395         -2.05098395         -2.28967646
     6          0.63306044         -0.74419689         -0.08913120
     6         -0.44627950          1.65877247         -0.20412285
     6         -0.96412160          2.77134603         -2.52130509
     6          0.94046084         -1.59816551          2.62169109
     6          0.70705085          0.91829068          4.10019644
     6         -0.91515494          2.66912889          2.42024556
     1          1.14767162         -1.92552912         -6.34643646
     1         -0.76370092          2.32188632         -6.54954512
     1          2.04372014         -3.91608937         -2.20669257
     1         -1.79666858          4.63957027         -2.61871280
     1          2.79417138         -2.45652136          2.92630418
     6         -1.09305642         -3.52456920          3.36336559
     1          2.58142434          1.74927020          4.32925302
     1         -0.08796024          0.64985813          5.98238464
     1         -0.40266212          4.65629631          2.62052585
     1         -2.92297333          2.52044927          2.89735470
     1         -2.98113451         -2.72227648          3.13378915
     1         -0.87388623         -4.10473850          5.33168010
     1         -0.98278719         -5.20940403          2.17920099

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.233181D+00      0.592687D+00      0.197699D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.233181D+00      0.592687D+00      0.197699D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.110897D+03      0.164333D+02      0.182845D+02
   aniso      0.538526D+02      0.798013D+01      0.887910D+01
   xx         0.812907D+02      0.120460D+02      0.134030D+02
   yx        -0.127382D+02     -0.188761D+01     -0.210025D+01
   yy         0.114098D+03      0.169076D+02      0.188122D+02
   zx        -0.144736D+01     -0.214477D+00     -0.238638D+00
   zy        -0.320912D+01     -0.475542D+00     -0.529112D+00
   zz         0.137304D+03      0.203463D+02      0.226383D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.120993D+03      0.179293D+02      0.199490D+02
   aniso      0.581274D+02      0.861359D+01      0.958391D+01
   xx         0.891391D+02      0.132090D+02      0.146970D+02
   yx        -0.131736D+02     -0.195212D+01     -0.217203D+01
   yy         0.123684D+03      0.183281D+02      0.203928D+02
   zx        -0.172222D+01     -0.255206D+00     -0.283955D+00
   zy        -0.368640D+01     -0.546268D+00     -0.607805D+00
   zz         0.150155D+03      0.222507D+02      0.247572D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-24\Freq\RB3LYP\Gen\C10H12\PIERPA\08-Jul-2021\0\\#P B3
 LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,M
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 0.0779047,-0.0493497,-0.0021617,0.0207025,0.136373,-0.0009851,-0.05215
 69,0.0179925,0.1990549,0.1493524,0.0138901,0.027514,0.0307846,-0.00979
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 .0111369,0.03497,0.0529836,0.0150527,0.000752,0.0193936,0.0408359,0.03
 4853,-0.0963568,0.0081194,-0.0452503,-0.1152196,0.0551158,-0.0083811,0
 .0235831,0.0359283\Polar=137.5766909,1.4287569,117.5199609,-2.2957114,
 5.2022808,77.5956099\Quadrupole=1.1589343,1.5446934,-2.7036277,0.09747
 7,-0.5159448,1.0180435\PG=C01 [X(C10H12)]\NImag=0\\0.69212891,0.052515
 28,0.66756407,-0.04458946,0.11094489,0.15423610,-0.13718343,0.07198644
 ,0.02290210,0.72331260,0.00859810,-0.30236124,-0.05329367,-0.01093039,
 0.63541961,0.00930273,-0.05908012,-0.07156106,-0.06120036,0.10882517,0
 .15498369,-0.30612376,0.02015438,0.02876862,0.00473489,0.08296293,0.01
 786173,0.65246829,0.08276798,-0.13993603,-0.02595603,0.03646065,0.0007
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 I WANT IT ALL - RICH, THIN, AND CHOCOLATE.
 Job cpu time:       0 days  6 hours  7 minutes 55.6 seconds.
 Elapsed time:       0 days  0 hours 23 minutes  2.4 seconds.
 File lengths (MBytes):  RWF=    368 Int=      0 D2E=      0 Chk=     12 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:51:13 2021.
